SCHEMBL3944222

SCHEMBL3944222

CC(=O)N(CCCN(C)C)c1ccc(NC(=C2C(=O)Nc3cc([N+](=O)[O-])ccc32)c2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.39
MAPT P10636 8/20 0.39
KMT2A Q03164 8/20 0.39
MEN1 O00255 7/20 0.39
NPC1 O15118 5/20 0.39
MAPK1 P28482 4/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
BAZ1A Q9NRL2 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
HTT P42858 1/20 0.36
P2RX5 Q93086 1/20 0.35
P2RX4 Q99571 1/20 0.35
P2RX7 Q99572 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
TLR9 Q9NR96 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3944217 1.00 RAB9A (0.39) RAB9AMAPTKMT2AMEN1NPC1
SCHEMBL3934552 0.96 P2RX5 (0.40) RAB9AMAPTKMT2AMEN1NPC1
SCHEMBL3934549 0.96 P2RX5 (0.40) RAB9AMAPTKMT2AMEN1NPC1
SCHEMBL3935926 0.96 MAPT (0.40) RAB9AMAPTKMT2AMEN1NPC1
SCHEMBL3935928 0.96 MAPT (0.40) RAB9AMAPTKMT2AMEN1NPC1
SCHEMBL3934298 0.91 P2RX5 (0.41) RAB9AMAPTKMT2AMEN1NPC1
SCHEMBL3934301 0.91 P2RX5 (0.41) RAB9AMAPTKMT2AMEN1NPC1
SCHEMBL3938721 0.88 MAOB (0.40) RAB9AMAPTKMT2AMEN1NPC1
SCHEMBL3938725 0.88 MAOB (0.40) RAB9AMAPTKMT2AMEN1NPC1
SCHEMBL3943056 0.88 MAPT (0.41) RAB9AMAPTKMT2AMEN1NPC1

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 RAB9A 3709/4885MAPT 1798/4885KMT2A 1839/4885

“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.