SCHEMBL190129

SCHEMBL190129

CC(=O)Nc1cccc(B(O)O)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
PKM P14618 1/20 0.44
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 2/20 0.41
CASP6 P55212 1/20 0.40
PDE7A Q13946 1/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
MAOA P21397 1/20 0.39
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29953799 1.00 SMN1; SMN2 (0.45) SMN1; SMN2PKMKMT2AALDH1A1HPGD
SCHEMBL1247252 0.81 PKM (0.56) SMN1; SMN2PKMKMT2AALDH1A1MAPT
SCHEMBL11620684 0.81 ALDH1A1 (0.58) SMN1; SMN2PKMKMT2AALDH1A1HPGD
SCHEMBL6988984 0.80 MAPT (0.41) SMN1; SMN2KMT2AALDH1A1MAPTNPSR1
SCHEMBL9793680 0.79 POLB (0.50) SMN1; SMN2PKMKMT2AALDH1A1HPGD
SCHEMBL2656516 0.79 POLB (0.50) SMN1; SMN2PKMKMT2AALDH1A1HPGD
SCHEMBL5369486 0.78 KMT2A (0.50) SMN1; SMN2KMT2AALDH1A1MAPTHTT
SCHEMBL14540415 0.78 RORC (0.46) SMN1; SMN2PKMKMT2AALDH1A1HPGD
SCHEMBL29745000 0.76 ALDH1A1 (0.48) SMN1; SMN2PKMKMT2AALDH1A1HPGD
SCHEMBL505209 0.76 ALDH1A1 (0.48) SMN1; SMN2PKMKMT2AALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021435-B2 Serotonin receptor-targeting compounds and methods NORTHEASTERN UNIVERSITY (US) 2021-06-01 US disclosed
US-10548856-B2 Compounds and methods for modulating serotonin receptors in the periphery NORTHEASTERN UNIVERSITY (US) 2020-02-04 US disclosed
US-20180125798-A1 Compounds and Methods for Modulating Serotonin Receptors in the Periphery NORTHEASTERN UNIVERSITY 2018-05-10 US disclosed
US-20180125798-A1 Compounds and Methods for Modulating Serotonin Receptors in the Periphery NORTHEASTERN UNIVERSITY 2018-05-10 US disclosed
US-9943519-B2 Pharmaceutical compounds GENENTECH, INC. (US) 2018-04-17 US disclosed
US-20170081273-A1 Serotonin Receptor-Targeting Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-23 US disclosed
US-20170081273-A1 Serotonin Receptor-Targeting Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-23 US disclosed
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2016-06-02 US disclosed
US-20140309216-A1 PHARMACEUTICAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-16 US disclosed
US-8802670-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2014-08-12 US disclosed
US-7893063-B2 2,4,6-trisubstituted pyrimidines as phosphotidylinositol (PI) 3-kinase inhibitors and their use in the treatment of cancer ASTRAZENECA AB (SE) 2011-02-22 US disclosed
US-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-01-14 US disclosed
US-20090143384-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer ASTRAZENECA UK LIMITED (GB) 2009-06-04 US disclosed
EP-2041139-A2 PHARMACEUTICAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2009-04-01 EP disclosed
EP-2027125-A1 PENTACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-02-25 EP disclosed
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIRAMED LIMITED (GB) 2008-03-27 US disclosed
WO-2007129119-A1 PENTACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-11-15 WO disclosed
WO-2007127175-A2 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-08 WO disclosed
EP-1773824-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2007-04-18 EP disclosed
WO-2006005915-A1 2, 4, 6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2006-01-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180125798-A1 Compounds and Methods for Modulating Serotonin Receptors in the Periphery HTR5A, HTR3A, HTR1A SMN1; SMN2 1984/4885PKM 1885/4885KMT2A 3180/4885
US-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 SMN1; SMN2 4827/4885PKM 3012/4885KMT2A 3311/4885
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIK3CA, PIK3CD, PIK3CB SMN1; SMN2 1733/4885PKM 738/4885KMT2A 964/4885
US-20140309216-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 SMN1; SMN2 1704/4885PKM 162/4885KMT2A 4014/4885
US-10548856-B2 Compounds and methods for modulating serotonin receptors in the periphery HTR5A, HTR3A, HTR1A SMN1; SMN2 1984/4885PKM 1885/4885KMT2A 3180/4885
US-20090143384-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PIK3CA, PIK3CB, TYMP SMN1; SMN2 3873/4885PKM 818/4885KMT2A 1852/4885
US-11021435-B2 Serotonin receptor-targeting compounds and methods HTR1A, HTR2C, HTR7 SMN1; SMN2 1243/4885PKM 3389/4885KMT2A 1801/4885
US-20170081273-A1 Serotonin Receptor-Targeting Compounds and Methods HTR1A, HTR2C, HTR7 SMN1; SMN2 1243/4885PKM 3389/4885KMT2A 1801/4885
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 SMN1; SMN2 1704/4885PKM 162/4885KMT2A 4014/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.