SCHEMBL2993057

SCHEMBL2993057

O=C1Cc2ccc([N+](=O)[O-])cc2N1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 6/20 0.67
PGR P06401 1/20 0.58
AHR P35869 3/20 0.54
CMA1 P23946 2/20 0.54
EIF2AK2 P19525 1/20 0.53
CCNB2 O95067 2/20 0.48
CDK1 P06493 2/20 0.48
CCNB1 P14635 2/20 0.48
GSK3B P49841 2/20 0.48
CDK5 Q00535 2/20 0.48
CDK5R1 Q15078 2/20 0.48
CCNB3 Q8WWL7 2/20 0.48
PDK2 Q15119 1/20 0.47
GAA P10253 1/20 0.47
CDC7 O00311 1/20 0.47
PLK4 O00444 1/20 0.47
IKBKB O14920 1/20 0.47
PDPK1 O15530 1/20 0.47
ROCK2 O75116 1/20 0.47
MAP4K4 O95819 1/20 0.47

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
SCHEMBL19954 0.86 PGR (0.71) TDP2PGRAHRCCNB2CDK1
SCHEMBL30270534 0.85 CA9 (0.56) TDP2PGRCAPN9CASP3CYP3A4
SCHEMBL495833 0.85 CA9 (0.56) TDP2PGRCAPN9CASP3CYP3A4
SCHEMBL2616914 0.84 TDP2 (0.73) TDP2PGRCAPN9CASP3CYP3A4
SCHEMBL13982356 0.83 AHR (0.54) TDP2PGRAHRCMA1EIF2AK2
SCHEMBL2061055 0.82 MAPT (0.51) TDP2PGRCAPN9CASP3CYP3A4
Oxindole SCHEMBL27763978 0.81 AHR (0.70) TDP2PGRAHRCCNB2CDK1
SCHEMBL3563285 0.80 TDP2 (1.00) TDP2PGRCASP3CYP3A4TDP1
SCHEMBL1122774 0.80 TDP2 (0.82) TDP2PGRCAPN9CASP3CYP3A4
SCHEMBL3483943 0.79 EIF2AK2 (0.57) TDP2PGRAHRCMA1EIF2AK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160060260-A1 BROMODOMAIN INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-03-03 US disclosed
US-20120270859-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-7763263-B2 Skin external agents and drugs KAO CORPORATION (JP) 2010-07-27 US disclosed
US-20100184747-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-22 US disclosed
EP-2181108-A2 3-HETROCYCLYLIDENE-INDOLINONE DERIVATIVES AS INHIBITORS OF SPECIFIC CELL CYCLE KINASES Boehringer Ingelheim International GmbH (DE) 2010-05-05 EP disclosed
US-20080132540-A1 NON-PEPTIDIC NPY Y2 RECEPTOR INHIBITORS CARRUTHERS NICHOLAS I 2008-06-05 US disclosed
US-7317025-B2 Non-peptidic NPY Y2 receptor inhibitors JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, LLC (US) 2008-01-08 US disclosed
US-20060177408-A1 Skin external agents and drugs KANEBO COSTMETICS INC. 2006-08-10 US disclosed
WO-2005030754-A1 INDOLE OR QUINOLINE DERIVATIVES AS NON-PEPTICID NPY Y2 RECEPTOR INHIBITORS USEFUL FOR THE TREATMENT OF ANXIOLYTIC AND DEPRESSIVE DISORDERS AND OBESITY JANSSEN PHARMACEUTICA, N.V. (BE) 2005-04-07 WO disclosed
US-20050070534-A1 Non-peptidic NPY Y2 receptor inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-31 US disclosed
US-20040254185-A1 Selective anthranilamide pyridine amides as inhibitors of vegfr-2 and vegfr-3 BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-12-16 US disclosed
EP-1392680-A2 SELECTIVE ANTHRANILAMIDE PYRIDINE AMIDES AS INHIBITORS OF VEGFR-2 AND VEGFR-3 SCHERING AKTIENGESELLSCHAFT (DE) 2004-03-03 EP disclosed
WO-2002090352-A2 SELECTIVE ANTHRANILAMIDE PYRIDINE AMIDES AS INHIBITORS OF VEGFR-2 AND VEGFR-3 SCHERING AKTIENGESELLSCHAFT (DE) 2002-11-14 WO disclosed
CN-1319090-A Novel substuted indolimones, their preparation process and use as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2001-10-24 CN disclosed
CN-86105309-A Oxindole-3-carbonyl amines the compound that replaces as the 1-of anti-inflammatory and anodyne 1987-01-14 CN 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-20120270859-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER IDO1, INMT, TPH1 TDP2 1567/4885PGR 165/4885AHR 61/4885
US-20060177408-A1 Skin external agents and drugs CUTA, F12, NFE2 TDP2 2850/4885PGR 3288/4885AHR 4325/4885
US-20160060260-A1 BROMODOMAIN INHIBITORS FOR TREATING DISEASE BRDT, BRPF3, BRWD1 TDP2 1348/4885PGR 2682/4885AHR 3759/4885
US-20080132540-A1 NON-PEPTIDIC NPY Y2 RECEPTOR INHIBITORS NPY2R, NPY1R, NPY5R TDP2 1201/4885PGR 209/4885AHR 3065/4885
US-20040254185-A1 Selective anthranilamide pyridine amides as inhibitors of vegfr-2 and vegfr-3 FLT4, KDR, FLT1 TDP2 2581/4885PGR 293/4885AHR 80/4885
US-20100184747-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER IDO1, INMT, TPH1 TDP2 1567/4885PGR 165/4885AHR 61/4885
US-20100222331-A1 NEW COMPOUNDS CCNA1, CCNY, MKI67 TDP2 3448/4885PGR 390/4885AHR 2025/4885
US-20050070534-A1 Non-peptidic NPY Y2 receptor inhibitors NPY2R, NPY1R, NPY5R TDP2 1201/4885PGR 209/4885AHR 3065/4885

“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.