SCHEMBL1494444

SCHEMBL1494444

COc1cc(Br)cc([N+](=O)[O-])c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 4/20 0.46
MAPT P10636 6/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
PRKDC P78527 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 1/20 0.41
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
S100A4 P26447 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
ERN1 O75460 1/20 0.40

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
SCHEMBL31423166 1.00 CYP1A2 (0.49) CYP1A2ALDH1A1TDP1MAPTKDM4E
SCHEMBL2088203 0.84 TUBB4A (0.49) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL5201165 0.82 CYP1A2 (0.61) CYP1A2ALDH1A1TDP1KDM4ECYP3A4
SCHEMBL1116004 0.82 MAPT (0.49) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL29549530 0.82 MAPT (0.49) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL12776990 0.81 MAPK1 (0.53) CYP1A2ALDH1A1TDP1MAPTKDM4E
SCHEMBL18365034 0.81 CYP1A2 (0.45) CYP1A2ALDH1A1TDP1MAPTKDM4E
SCHEMBL2086467 0.81 ERN1 (0.54) ALDH1A1TDP1MAPTKDM4EMAPK1
SCHEMBL22719652 0.81 ALDH1A1 (0.44) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL29505036 0.81 ALDH1A1 (0.44) ALDH1A1TDP1MAPTKDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612412-B2 Antiviral heterocyclic compounds ENANTA PHARMACEUTICALS, INC. (US) 2026-04-28 US disclosed
US-11945830-B2 Antiviral heterocyclic compounds ENANTA PHARMACEUTICALS, INC. (US) 2024-04-02 US disclosed
EP-4298103-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS Enanta Pharmaceuticals, Inc. (US) 2024-01-03 EP disclosed
CN-117043166-A Antiviral heterocyclic compounds 英安塔制药有限公司 2023-11-10 CN disclosed
WO-2023200441-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. (US) 2023-10-19 WO disclosed
US-RE49556-E1 Compounds and compositions as protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-06-20 US disclosed
US-20230115580-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-04-13 US disclosed
US-20230116233-A1 Compounds And Compositions As Protein Kinase Inhibitors ARRAY BIOPHARMA INC (US) 2023-04-13 US disclosed
US-20230108803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-04-06 US disclosed
WO-2022182861-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. (US) 2022-09-01 WO disclosed
EP-2470526-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2012-07-04 EP disclosed
US-20110306625-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-12-15 US disclosed
WO-2011025927-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-03-03 WO disclosed
WO-2011023773-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-03 WO disclosed
US-20110052578-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-03-03 US disclosed
US-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE CARNA BIOSCIENCES INC. (JP) 2010-12-09 US disclosed
US-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE CARNA BIOSCIENCES INC. (JP) 2010-12-09 US disclosed
US-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE CARNA BIOSCIENCES INC. (JP) 2010-12-09 US disclosed
EP-2226315-A1 2-AMINOQUINAZOLINE DERIVATIVE Carna Biosciences Inc. (JP) 2010-09-08 EP disclosed
EP-2226315-A1 2-AMINOQUINAZOLINE DERIVATIVE Carna Biosciences Inc. (JP) 2010-09-08 EP 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 (8 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-20110306625-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS BRAF, RAF1, ARAF CYP1A2 4489/4885ALDH1A1 4023/4885TDP1 1617/4885
US-20110052578-A1 Compounds and Compositions as Protein Kinase Inhibitors RAF1, BRAF, ARAF CYP1A2 2715/4885ALDH1A1 3869/4885TDP1 2480/4885
US-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE DSTYK, ABL1, EEF2K CYP1A2 2726/4885ALDH1A1 4359/4885TDP1 2906/4885
US-20230116233-A1 Compounds And Compositions As Protein Kinase Inhibitors BRAF, RAF1, ARAF CYP1A2 4489/4885ALDH1A1 4023/4885TDP1 1617/4885
US-12612412-B2 Antiviral heterocyclic compounds ZC3HAV1, NHERF1, HM13 CYP1A2 1984/4885ALDH1A1 4093/4885TDP1 3895/4885
US-20230115580-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 CYP1A2 1080/4885ALDH1A1 2176/4885TDP1 2460/4885
US-20230108803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 CYP1A2 1080/4885ALDH1A1 2176/4885TDP1 2460/4885
US-11945830-B2 Antiviral heterocyclic compounds ACE, HPRT1, ACE2 CYP1A2 1080/4885ALDH1A1 2176/4885TDP1 2460/4885

“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.