SCHEMBL2992214

SCHEMBL2992214

NC(=O)c1cc[n+]([O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
PARP1 P09874 2/20 0.50
POLB P06746 2/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CA2 P00918 3/20 0.46
KMT2A Q03164 4/20 0.44
PARP10 Q53GL7 4/20 0.44
PARP4 Q9UKK3 2/20 0.44
PARP15 Q460N3 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PARP14 Q460N5 1/20 0.44
PARP16 Q8N5Y8 1/20 0.44

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
SCHEMBL12687663 0.77 PARP1 (0.52) TSHRPARP1POLBCYP3A4MAPT
SCHEMBL1270758 0.77 MEN1 (0.56) TSHRCYP2C19TDP1CA2KMT2A
SCHEMBL7291835 0.75 PARP1 (0.50) TSHRPARP1POLBCYP3A4MAPT
Ammonia Solution, Strong SCHEMBL28038454 0.75 MEN1 (0.54) TSHRCYP2C19TDP1CA2KMT2A
SCHEMBL1015846 0.75 KMT2A (0.53) MAPTTDP1L3MBTL1KMT2AALDH1A1
SCHEMBL4381133 0.75 NNMT (0.57) TSHRPARP1POLBCYP3A4MAPT
SCHEMBL11313330 0.75 MPO (0.54) POLBCYP3A4MAPTCYP2C19RECQL
Terephthalamide SCHEMBL23774 0.74 PARP1 (0.71) TSHRPARP1POLBCYP3A4MAPT
SCHEMBL128526 0.73 MEN1 (0.68) TSHRPARP1POLBCYP3A4MAPT
SCHEMBL29618255 0.73 MEN1 (0.68) TSHRPARP1POLBCYP3A4MAPT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101065358-B 3-arylamino pyridine derivatives MERCK SERONO SA 2015-03-11 CN disclosed
EP-1833836-B1 IMIDAZO-FUSED THIAZOLO [4,5-B] PYRIDINE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2011-12-21 EP disclosed
EP-1797062-B1 ALKYNYL BASED DERVATIVES OF BENZOPHENONE AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2011-01-12 EP disclosed
US-20100184811-A1 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS BRIDGE BIORESEARCH RIGHTS (JERSEY) LIMITED (GB) 2010-07-22 US disclosed
EP-2068873-A2 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS Pharma 2100 (DK) 2009-06-17 EP disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 US disclosed
US-7456194-B2 Imidazo-fused oxazolo [4,5-b]pyridine and imidazo-fused thiazolo[4,5-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
WO-2008031440-A2 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS PHARMA 2100 (DK) 2008-03-20 WO disclosed
CN-101065358-A 3-arylamino pyridine derivatives APPLIED RESEARCH SYSTEMS (AN) 2007-10-31 CN disclosed
EP-1270577-B1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-12-06 EP disclosed
US-20060106051-A1 Imidazo-fused oxazolo[4,5-b]pyridine and imidazo-fused thiazolo[4,5-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2006-05-18 US disclosed
US-6924292-B2 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
US-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 US disclosed
EP-1270577-A1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
US-4728658-A ANTIULCER JOHN WYETH & BROTHER LIMITED (GB) 1988-03-01 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 (3 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-20100184811-A1 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS ODC1, OTC, ACACB TSHR 4419/4885PARP1 4081/4885POLB 2027/4885
US-20060106051-A1 Imidazo-fused oxazolo[4,5-b]pyridine and imidazo-fused thiazolo[4,5-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same TPMT, IRAK4, P2RX7 TSHR 1233/4885PARP1 999/4885POLB 1952/4885
US-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof PDE3B, PDE5A, PDE3A TSHR 2457/4885PARP1 1004/4885POLB 1153/4885

“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.