SCHEMBL416455

SCHEMBL416455

CCCCCc1ccc(-c2nnc(C)[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.51
RAB9A P51151 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HTR2A P28223 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 2/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.46
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
RARB P10826 4/20 0.44
ATM Q13315 1/20 0.44
GPR84 Q9NQS5 1/20 0.43
ESR1 P03372 2/20 0.43

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
SCHEMBL5637948 0.83 RAB9A (0.47) HSD11B1RAB9AKDM4EHTR2ASMN1; SMN2
SCHEMBL14424589 0.81 HTR2A (0.49) HSD11B1RAB9AKDM4EHTR2ASMN1; SMN2
SCHEMBL10379965 0.74 RARB (0.68) HSD11B1RAB9AKDM4EHTR2ASMN1; SMN2
SCHEMBL31549867 0.74 RARB (0.68) HSD11B1RAB9AKDM4EHTR2ASMN1; SMN2
SCHEMBL28215390 0.73 KDM4E (0.47) HSD11B1RAB9AKDM4EHTR2ASMN1; SMN2
SCHEMBL6952885 0.73 RAB9A (0.49) HSD11B1RAB9AKDM4EHTR2ASMN1; SMN2
SCHEMBL6957211 0.73 RAB9A (0.49) HSD11B1RAB9AKDM4EHTR2ASMN1; SMN2
SCHEMBL23527273 0.73 RARB (0.44) HSD11B1RAB9AKDM4EMAPTALDH1A1
SCHEMBL417139 0.73 NISCH (0.45) RAB9AKDM4ESMN1; SMN2NPC1MAPT
SCHEMBL11661972 0.72 HSD17B10 (0.71) RAB9AKDM4EHTR2ASMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US claimed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US claimed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US disclosed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US disclosed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 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 (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-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 HSD11B1 4167/4885RAB9A 100/4885KDM4E 2054/4885
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 HSD11B1 4167/4885RAB9A 100/4885KDM4E 2054/4885

“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.