SCHEMBL8969748

SCHEMBL8969748

CCc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.78
KDM4E B2RXH2 4/20 0.78
SMN1; SMN2 Q16637 2/20 0.78
HTT P42858 1/20 0.78
MEN1 O00255 6/20 0.67
KMT2A Q03164 6/20 0.67
ALDH1A1 P00352 4/20 0.67
NPC1 O15118 3/20 0.67
MAPT P10636 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.66
NLRP3 Q96P20 1/20 0.66
ATM Q13315 1/20 0.66
CCNE1 P24864 4/20 0.65
CDK2 P24941 4/20 0.65
HSD17B10 Q99714 3/20 0.58
HPGD P15428 2/20 0.58
USP2 O75604 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58

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
SCHEMBL11244031 0.88 RAB9A (1.00) RAB9AKDM4ESMN1; SMN2HTTMEN1
SCHEMBL29528162 0.88 RAB9A (0.76) RAB9AKDM4ESMN1; SMN2HTTMEN1
SCHEMBL11251957 0.87 KDM4E (0.76) RAB9AKDM4ESMN1; SMN2HTTMEN1
SCHEMBL12943711 0.87 KDM4E (0.69) RAB9AKDM4ESMN1; SMN2HTTMEN1
SCHEMBL11256945 0.84 RAB9A (0.71) RAB9AKDM4ESMN1; SMN2HTTMEN1
SCHEMBL8969999 0.84 PTGS1 (0.59) RAB9AKDM4ESMN1; SMN2HTTMEN1
SCHEMBL8969803 0.84 KMT2A (0.76) RAB9AKDM4ESMN1; SMN2HTTMEN1
SCHEMBL29527714 0.82 KDM4E (0.68) RAB9AKDM4ESMN1; SMN2HTTMEN1
SCHEMBL7859639 0.81 MEN1 (0.72) RAB9AKDM4ESMN1; SMN2HTTMEN1
SCHEMBL8969921 0.80 RAB9A (0.54) RAB9AKDM4ESMN1; SMN2HTTMEN1

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-8188080-B2 VHR protein tyrosine phosphatase inhibitors, compositions and methods of use SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-05-29 US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 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-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE PTPRR, PTPRS, PTPRCAP RAB9A 2257/4885KDM4E 1547/4885SMN1; SMN2 4779/4885

“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.