SCHEMBL4504012

SCHEMBL4504012

CN(c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccc(CC(=O)O)cc2)cc1)S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
GALR3 O60755 1/20 0.41
MAPT P10636 4/20 0.39
CPT1A P50416 5/20 0.38
CPT1B Q92523 5/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.37
CPT2 P23786 1/20 0.36
USP2 O75604 2/20 0.36
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL4504007 1.00 MEN1 (0.41) MEN1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL227107 0.92 RAB9A (0.44) MEN1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL227106 0.92 RAB9A (0.44) MEN1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL4504435 0.91 MEN1 (0.41) MEN1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL4504431 0.91 MEN1 (0.41) MEN1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL4492068 0.90 RAB9A (0.41) MEN1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL4492066 0.90 RAB9A (0.41) MEN1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL4494978 0.90 CPT1A (0.35) MEN1KMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL4494982 0.90 CPT1A (0.35) MEN1KMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL4486135 0.89 ALDH1A1 (0.40) MEN1KMT2AKDM4EALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR MEN1 1288/4885KMT2A 3530/4885KDM4E 1648/4885

“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.