SCHEMBL488895

SCHEMBL488895

O=[N+]([O-])c1ccncc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.47
ALDH1A1 P00352 5/20 0.45
HTT P42858 4/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
MAPT P10636 5/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
CTSB P07858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
BRD4 O60885 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42

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
SCHEMBL31693329 0.83 ALDH1A1 (0.49) GPR35ALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL7914237 0.83 ALDH1A1 (0.49) GPR35ALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL220634 0.83 ALDH1A1 (0.49) GPR35ALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL8568179 0.80 ALDH1A1 (0.53) ALDH1A1HTTRAB9ATSHRMAPK1
SCHEMBL27546560 0.78 KMT2A (0.49) ALDH1A1HTTRAB9ASMN1; SMN2MAPT
Ethylene SCHEMBL27749127 0.77 ALDH1A1 (0.50) ALDH1A1HTTRAB9ATSHRMAPK1
SCHEMBL6221966 0.76 DTYMK (0.50) ALDH1A1HTTSMN1; SMN2TSHRMAPT
SCHEMBL5921938 0.76 CTSB (0.61) ALDH1A1HTTRAB9ASMN1; SMN2TP53
SCHEMBL2602388 0.75 ALDH1A1 (0.50) ALDH1A1HTTRAB9AMAPTKMT2A
SCHEMBL5700402 0.75 ALDH1A1 (0.45) ALDH1A1HTTRAB9AMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103265477-B Aminoheteroaryl compounds as protein kinase inhibitors 苏根公司 2017-01-11 CN disclosed
US-20140288086-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2014-09-25 US disclosed
US-8785632-B2 Enantiomerically pure aminoheteroaryl compounds as protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
EP-1603570-B9 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN INC (US) 2013-10-23 EP disclosed
CN-103265477-A Aminoheteroaryl compounds as protein kinase inhibitors SUGEN INC 2013-08-28 CN disclosed
EP-1786785-B9 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER (US) 2013-05-22 EP disclosed
EP-1603570-B1 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN INC (US) 2013-01-23 EP disclosed
US-20120263706-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. 2012-10-18 US disclosed
EP-2476667-A2 Aminoheteroaryl compounds as protein kinase inhibitors Sugen, Inc. (US) 2012-07-18 EP disclosed
US-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 US disclosed
US-5994362-A ADMINISTERING FINASTERIDE AND CASODEX MERCK & CO., INC. (US) 1999-11-30 US disclosed
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5753641-A SYNERGISTIC THERAPY COMPRISING FINASTERIDE AND TERAZOSIN DRUGS MERCK & CO., INC. (US) 1998-05-19 US disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed
EP-0576603-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO. INC. (US) 1994-01-05 EP disclosed
EP-0526093-A1 New non-steroidal agents as 5-alpha reductase inhibitors MERCK & CO. INC. (US) 1993-02-03 EP disclosed
WO-1992018132-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COMTAINING A 5 ALPHA-REDUCTASE INHIBITOR MERCK & CO., INC. (US) 1992-10-29 WO disclosed
WO-1992016213-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed
WO-1992016233-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC CANCER CONTAINING A 5 ALPHA REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 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 (2 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-20120263706-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS MET, MAP3K15, MAP3K1 GPR35 3384/4885ALDH1A1 2375/4885HTT 4517/4885
US-20140288086-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS MET, MAP3K15, MAP3K1 GPR35 3384/4885ALDH1A1 2375/4885HTT 4517/4885

“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.