SCHEMBL7566341

SCHEMBL7566341

CNC(=O)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.66
KMT2A Q03164 2/20 0.66
TDP1 Q9NUW8 1/20 0.63
RAB9A P51151 5/20 0.61
NPC1 O15118 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
GAA P10253 2/20 0.61
MCL1 Q07820 1/20 0.61
POLB P06746 1/20 0.61
FLT1 P17948 1/20 0.60
FLT4 P35916 1/20 0.60
KDR P35968 1/20 0.60
ALDH1A1 P00352 3/20 0.59
TP53 P04637 2/20 0.59
HPGD P15428 1/20 0.59
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL16302754 0.89 MAPT (0.61) MAPTKMT2ATDP1RAB9ANPC1
SCHEMBL16174797 0.89 MAPT (0.61) MAPTKMT2ATDP1RAB9ANPC1
SCHEMBL4361418 0.87 RORC (0.65) MAPTKMT2ASMN1; SMN2GAAPOLB
SCHEMBL16022508 0.86 MAPT (0.50) MAPTKMT2ATDP1RAB9ANPC1
SCHEMBL11676127 0.84 KMT2A (0.69) MAPTKMT2ATDP1RAB9ANPC1
SCHEMBL3099561 0.83 RAB9A (0.62) MAPTKMT2ATDP1RAB9ANPC1
SCHEMBL10126508 0.83 NPC1 (0.67) MAPTKMT2ATDP1RAB9ANPC1
SCHEMBL6971828 0.82 FLT1 (0.57) MAPTKMT2ATDP1RAB9ASMN1; SMN2
SCHEMBL3114410 0.82 ALDH1A1 (0.55) MAPTKMT2ATDP1RAB9ANPC1
SCHEMBL480106 0.81 KMT2A (0.70) MAPTKMT2ATDP1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105051033-B Antiviral compound 豪夫迈·罗氏有限公司 2018-02-16 CN disclosed
EP-2964633-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-04-19 EP disclosed
US-20170081312-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2017-03-23 US disclosed
US-20170081312-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2017-03-23 US disclosed
US-9540345-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-01-10 US disclosed
US-9540345-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-01-10 US disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
EP-2792674-B1 IMIDAZOLIDINEDIONE COMPOUNDS AND THEIR USES HINOVA PHARMACEUTICAL INC (CN) 2016-05-25 EP disclosed
US-9346764-B2 Imidazolidinedione compounds and their uses HINOVA PHARMACEUTICALS INC. (CN) 2016-05-24 US disclosed
US-20140371284-A1 IMIDAZOLIDINEDIONE COMPOUNDS AND THEIR USES HC PHARMACEUTICAL CO., LTD. (CN) 2014-12-18 US disclosed
US-20140371284-A1 IMIDAZOLIDINEDIONE COMPOUNDS AND THEIR USES HC PHARMACEUTICAL CO., LTD. (CN) 2014-12-18 US disclosed
US-20140371284-A1 IMIDAZOLIDINEDIONE COMPOUNDS AND THEIR USES HC PHARMACEUTICAL CO., LTD. (CN) 2014-12-18 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
EP-2792674-A1 IMIDAZOLIDINEDIONE COMPOUNDS AND THEIR USES HC Pharmaceutical Co., Ltd. (CN) 2014-10-22 EP disclosed
WO-2014135471-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US disclosed
WO-2002083622-A2 NOVEL AMINOPHENYL KETONE DERIVATIVES LEO PHARMA A/S (DK) 2002-10-24 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 (4 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-20170081312-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS MAPT 4501/4885KMT2A 4621/4885TDP1 2908/4885
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 MAPT 3116/4885KMT2A 103/4885TDP1 2738/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 MAPT 3116/4885KMT2A 103/4885TDP1 2738/4885
US-20140371284-A1 IMIDAZOLIDINEDIONE COMPOUNDS AND THEIR USES AR, CYP19A1, CYP17A1 MAPT 3666/4885KMT2A 3275/4885TDP1 3220/4885

“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.