SCHEMBL3935382

SCHEMBL3935382

CN(C)CCN(c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccc3oc(=O)[nH]c3c2)cc1)S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
ADRA2A P08913 1/20 0.35
TSHR P16473 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
THPO P40225 1/20 0.35
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
ALPL P05186 1/20 0.33
IDH1 O75874 1/20 0.33
POLB P06746 4/20 0.31
TDP1 Q9NUW8 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL3935672 0.94 ALPL (0.38) KMT2AMEN1ALPLPOLBTDP1
SCHEMBL3941122 0.88 LMNA (0.36) LMNACYP1A2ADRA2ATSHRNOS3
SCHEMBL3941038 0.86 LMNA (0.37) LMNACYP1A2ADRA2ATSHRNOS3
SCHEMBL3942272 0.86 LMNA (0.35) LMNACYP1A2ADRA2ATSHRNOS3
SCHEMBL5856378 0.86 NPC1 (0.43) LMNAKMT2AMEN1POLBMAPT
SCHEMBL3935838 0.85 LMNA (0.34) LMNACYP1A2ADRA2ATSHRNOS3
SCHEMBL3937532 0.84 LMNA (0.39) LMNACYP1A2ADRA2ATSHRNOS3
SCHEMBL4494272 0.84 GAA (0.38) LMNATSHRNPSR1KMT2AMEN1
SCHEMBL4494278 0.84 GAA (0.38) LMNATSHRNPSR1KMT2AMEN1
SCHEMBL5857103 0.84 NPC1 (0.32) NPSR1KMT2AMEN1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551830-B1 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS BOEHRINGER INGELHEIM PHARMA (DE) 2009-04-08 EP disclosed
US-7148249-B2 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-12-12 US disclosed
EP-1551830-A2 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-13 EP disclosed
US-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 US disclosed
WO-2004026829-A2 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-01 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 (1 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-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments CDK1, CDK2, CDK3 LMNA 1567/4885CYP1A2 381/4885ADRA2A 1463/4885

“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.