SCHEMBL6286816

SCHEMBL6286816

Cn1ccc(Cl)c([N+](=O)[O-])c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
ALDH1A1 P00352 6/20 0.44
MAPT P10636 5/20 0.44
NPSR1 Q6W5P4 4/20 0.44
LMNA P02545 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TLR9 Q9NR96 2/20 0.44
XBP1 P17861 1/20 0.44
PAX8 Q06710 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 2/20 0.39
HTT P42858 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CRBN Q96SW2 1/20 0.38
MITF O75030 2/20 0.38
AGTR1 P30556 1/20 0.38
ATM Q13315 2/20 0.36

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
SCHEMBL27600495 0.79 ALDH1A1 (0.50) GAAALDH1A1MAPTNPSR1LMNA
SCHEMBL4467439 0.79 GAA (0.60) GAAALDH1A1MAPTNPSR1LMNA
SCHEMBL31440040 0.78 GAA (0.46) GAAALDH1A1MAPTNPSR1LMNA
SCHEMBL27041924 0.78 GAA (0.46) GAAALDH1A1MAPTNPSR1LMNA
SCHEMBL16652388 0.78 GAA (0.46) GAAALDH1A1MAPTNPSR1LMNA
SCHEMBL27041721 0.77 ALDH1A1 (0.38) ALDH1A1MAPTNPSR1LMNANPC1
SCHEMBL3203984 0.77 ALDH1A1 (0.44) ALDH1A1MAPTNPSR1LMNANPC1
SCHEMBL27103932 0.71 BRD9 (0.39) GAAALDH1A1MAPTLMNANPC1
SCHEMBL3195504 0.70 HSPD1 (0.50) ALDH1A1MAPTNPSR1LMNANPC1
SCHEMBL29702010 0.70 ALDH1A1 (0.56) ALDH1A1TSHRTDP1GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023250157-A9 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2024-01-25 WO disclosed
WO-2023250157-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2023-12-28 WO disclosed
US-11739070-B2 C5A receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2023-08-29 US disclosed
EP-3250571-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2022-11-30 EP disclosed
CN-107531692-B Therapeutic compounds and uses thereof 基因泰克公司 2020-12-25 CN disclosed
EP-3740476-A1 C5A RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP disclosed
US-20200347029-A1 C5A RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD. (CH) 2020-11-05 US disclosed
CN-111615513-A C5a receptor modulators 爱杜西亚药品有限公司 2020-09-01 CN disclosed
WO-2019141803-A1 C5A RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2019-07-25 WO disclosed
US-10202378-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-12 US disclosed
US-9085583-B2 Modulators of methyl modifying enzymes, compositions and uses thereof Constellation—Pharmaceuticals, Inc. (US) 2015-07-21 US disclosed
US-9085583-B2 Modulators of methyl modifying enzymes, compositions and uses thereof Constellation—Pharmaceuticals, Inc. (US) 2015-07-21 US disclosed
US-9085583-B2 Modulators of methyl modifying enzymes, compositions and uses thereof Constellation—Pharmaceuticals, Inc. (US) 2015-07-21 US disclosed
US-20150011546-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-01-08 US disclosed
US-20150011546-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-01-08 US disclosed
US-20150011546-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-01-08 US disclosed
EP-2812001-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-12-17 EP disclosed
WO-2013120104-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-08-15 WO disclosed
US-6887885-B2 Imidazo[4,5-c]pyridin-4-one analogues as GABAA receptor ligands MERCK SHARP & DOHME LTD 2005-05-03 US disclosed
US-20040132767-A1 Imidazo[4,5-c]pyridin-4-one analogues as GABAA receptor ligands MERCK SHARP & DOHME LTD. (GB) 2004-07-08 US 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 (5 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-20200347029-A1 C5A RECEPTOR MODULATORS C5AR1, C3AR1, C5AR2 GAA 4704/4885ALDH1A1 2987/4885MAPT 4529/4885
US-20040132767-A1 Imidazo[4,5-c]pyridin-4-one analogues as GABAA receptor ligands GABRA1, GABRA2, GABRA3 GAA 3298/4885ALDH1A1 863/4885MAPT 1669/4885
US-10202378-B2 Therapeutic compounds and uses thereof TAF1, TAF1L, TAF1B GAA 648/4885ALDH1A1 2132/4885MAPT 2192/4885
US-20150011546-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 GAA 748/4885ALDH1A1 1213/4885MAPT 3877/4885
US-11739070-B2 C5A receptor modulators C5AR1, C3AR1, C5AR2 GAA 4704/4885ALDH1A1 2987/4885MAPT 4529/4885

“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.