SCHEMBL3935329

SCHEMBL3935329

CN(C)CCN(c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccc(N)c([N+](=O)[O-])c2)cc1)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.36
KMT2A Q03164 6/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 4/20 0.33
GAA P10253 2/20 0.33
HTT P42858 2/20 0.33
PKM P14618 2/20 0.32
LMNA P02545 1/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
ALDH1A1 P00352 4/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CYP19A1 P11511 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 2/20 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
SCHEMBL3935326 1.00 MAPT (0.36) MAPTKMT2AMAPK1L3MBTL1MEN1
SCHEMBL4490205 1.00 MAPT (0.36) MAPTKMT2AMAPK1L3MBTL1MEN1
SCHEMBL3935258 0.88 MAPT (0.38) MAPTKMT2AMAPK1L3MBTL1MEN1
SCHEMBL4494848 0.88 MAPT (0.38) MAPTKMT2AMAPK1L3MBTL1MEN1
SCHEMBL3935261 0.88 MAPT (0.38) MAPTKMT2AMAPK1L3MBTL1MEN1
SCHEMBL4488274 0.85 MAPT (0.37) MAPTKMT2AMAPK1L3MBTL1MEN1
SCHEMBL3937769 0.85 MAPT (0.37) MAPTKMT2AMAPK1L3MBTL1MEN1
SCHEMBL3937768 0.85 MAPT (0.37) MAPTKMT2AMAPK1L3MBTL1MEN1
SCHEMBL4495826 0.84 MAPT (0.39) MAPTKMT2AMAPK1L3MBTL1MEN1
SCHEMBL3934845 0.84 MAPT (0.39) MAPTKMT2AMAPK1L3MBTL1MEN1

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 7 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-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US 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
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 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 (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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR MAPT 545/4885KMT2A 3530/4885MAPK1 273/4885
US-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments CDK1, CDK2, CDK3 MAPT 1798/4885KMT2A 1839/4885MAPK1 311/4885

“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.