SCHEMBL2060780

SCHEMBL2060780

O=[N+]([O-])c1ccc(O)c(-n2cccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TSHR P16473 3/20 0.53
GPR35 Q9HC97 2/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
GAA P10253 3/20 0.51
THRB P10828 1/20 0.51
TDP1 Q9NUW8 4/20 0.50
KCNMA1 Q12791 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ERN1 O75460 1/20 0.49
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
ALOX15 P16050 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 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
SCHEMBL6562050 0.86 GPR35 (0.53) ALDH1A1TSHRGPR35HPGDSMN1; SMN2
SCHEMBL10232248 0.84 TDP1 (0.36) ALDH1A1TSHRGPR35HPGDSMN1; SMN2
SCHEMBL27708625 0.81 GRIK1 (0.51) ALDH1A1TSHRGPR35HPGDSMN1; SMN2
SCHEMBL11703644 0.80 IDO1 (0.57) ALDH1A1TSHRGPR35HPGDSMN1; SMN2
SCHEMBL13253426 0.79 TDP1 (0.56) ALDH1A1TSHRTDP1NPSR1MAPT
SCHEMBL1744862 0.79 ALDH1A1 (0.53) ALDH1A1TSHRMAPK1GAATDP1
SCHEMBL5786188 0.78 KMT2A (0.56) ALDH1A1TSHRSMN1; SMN2TDP1MEN1
SCHEMBL6677996 0.77 GAA (0.57) ALDH1A1TSHRGPR35HPGDSMN1; SMN2
SCHEMBL10913298 0.76 HSD17B10 (0.56) ALDH1A1HPGDSMN1; SMN2MAPK1GAA
SCHEMBL7838979 0.76 ALDH1A1 (0.55) ALDH1A1TSHRSMN1; SMN2GAATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304994-B1 PYRROLYL-SUBSTITUTED NITROPHENOLS USED AS DIRECT COLORANTS HENKEL KGAA (DE) 2004-10-20 EP claimed
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 EP disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 US disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 US disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US disclosed
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US disclosed
EP-1304994-B1 PYRROLYL-SUBSTITUTED NITROPHENOLS USED AS DIRECT COLORANTS HENKEL KGAA (DE) 2004-10-20 EP disclosed
EP-0775689-B9 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2004-09-15 EP disclosed
CN-1134410-C Amine derivatives, process for their preparation and their use as antiarrhythmic agents �й�ʯ����������ʯ�ͻ����������ι� 2004-01-14 CN disclosed
EP-0775689-B1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2003-09-03 EP disclosed
EP-1304994-A1 PYRROLYL-SUBSTITUTED NITROPHENOLS USED AS DIRECT COLORANTS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-05-02 EP disclosed
WO-2002009661-A1 PYRROLYL-SUBSTITUTED NITROPHENOLS USED AS DIRECT COLORANTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-02-07 WO disclosed
US-6057358-A POTASSIUM CHANNEL BLOCKING ANTIARRHYTHMIC DRUGS WITH LESS SIDE EFFECTS C&C RESEARCH LABS. (KR) 2000-05-02 US disclosed
CN-1169141-A Novel amine derivatives, process for their preparation and their use as antiarrhythmic agents C & C RESEARCH LABS (KR) 1997-12-31 CN disclosed
EP-0775689-A1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RESEARCH LABS. (KR) 1997-05-28 EP disclosed
US-4035495-A HYPERTENSIVE AGENTS, CNS DEPRESSANT AYERST MCKENNA AND HARRISON LTD. (CA) 1977-07-12 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 (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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET ALDH1A1 77/4885TSHR 1728/4885GPR35 2460/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET ALDH1A1 77/4885TSHR 1728/4885GPR35 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.