SCHEMBL170879

SCHEMBL170879

CCCc1c(F)cccc1F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.45
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 4/20 0.40
DAO P14920 1/20 0.40
HPGD P15428 1/20 0.40
ACHE P22303 1/20 0.36
HSP90AB1 P08238 1/20 0.35
TSHR P16473 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL170728 0.86 ACHE (0.46) TAAR1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL14671415 0.85 SMN1; SMN2 (0.46) TAAR1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL15302783 0.84 TAAR1 (0.38) TAAR1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL15618222 0.84 ALDH1A1 (0.41) TAAR1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL27660692 0.84 TAAR1 (0.39) TAAR1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL172572 0.84 TAAR1 (0.38) TAAR1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL9189975 0.84 TAAR1 (0.42) TAAR1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL7706281 0.84 TAAR1 (0.38) TAAR1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL13228082 0.84 TAAR1 (0.68) TAAR1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL19446544 0.84 GABRA1 (0.41) TAAR1KDM4EALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11813278-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-11-14 US disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
WO-2023170024-A1 CAMK2 MODULATORS AND THEIR USE IN MEDICINE UNIVERSITY OF COPENHAGEN (DK) 2023-09-14 WO disclosed
EP-4234565-A2 HIGHLY ACTIVE COMPOUNDS AGAINST COVID-19 ATEA Pharmaceuticals, Inc. (US) 2023-08-30 EP disclosed
US-20220169621-A1 OXADIAZOLES FOR USE IN CONTROLLING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LTD. (IN) 2022-06-02 US disclosed
US-20220127266-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-04-28 US disclosed
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
EP-3313396-B1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV MICHIGAN REGENTS (US) 2021-12-15 EP disclosed
EP-2968211-B1 PHENYL ALKYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING EPILEPSY OR EPILEPSY-RELATED SYNDROME BIO PHARM SOLUTIONS CO LTD (KR) 2021-05-12 EP disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 US disclosed
US-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-12-10 US disclosed
EP-2116522-A1 PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CF<SB>2</SB>O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY Chisso Corporation (JP) 2009-11-11 EP disclosed
EP-2070928-A1 7-azaindol-3-ylacrylamides active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-06-17 EP disclosed
US-20090105279-A1 Antiviral protease inhibitors GILEAD SCIENCES, INC. 2009-04-23 US disclosed
US-20090099096-A1 AZA-peptide protease inhibitors GILEAD SCIENCES, INC. 2009-04-16 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 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 (11 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-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F11, WEE1 TAAR1 4796/4885KDM4E 3806/4885ALDH1A1 401/4885
US-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 TAAR1 4603/4885KDM4E 1301/4885ALDH1A1 144/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 TAAR1 2280/4885KDM4E 2958/4885ALDH1A1 1645/4885
US-20090105279-A1 Antiviral protease inhibitors ACE, TMPRSS15, MME TAAR1 4724/4885KDM4E 1726/4885ALDH1A1 3629/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 TAAR1 3983/4885KDM4E 821/4885ALDH1A1 89/4885
US-20220127266-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 TAAR1 4603/4885KDM4E 1301/4885ALDH1A1 144/4885
US-11813278-B2 Highly active compounds against COVID-19 PNP, ACE2, MTAP TAAR1 4601/4885KDM4E 3971/4885ALDH1A1 2718/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK TAAR1 2374/4885KDM4E 3026/4885ALDH1A1 148/4885
US-20090099096-A1 AZA-peptide protease inhibitors DNPEP, ANPEP, PEPD TAAR1 4128/4885KDM4E 515/4885ALDH1A1 4015/4885
US-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS ACE, DNPEP, TMPRSS15 TAAR1 4736/4885KDM4E 1704/4885ALDH1A1 3653/4885
US-20220169621-A1 OXADIAZOLES FOR USE IN CONTROLLING PHYTOPATHOGENIC FUNGI OXA1L, CYP51A1, CYP1A1 TAAR1 1247/4885KDM4E 2671/4885ALDH1A1 80/4885

“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.