SCHEMBL5583922

SCHEMBL5583922

N#Cc1ccccc1Cc1c(Cl)nc(-c2ccccc2)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 1/20 0.48
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 2/20 0.41
TNKS O95271 2/20 0.40
TNKS2 Q9H2K2 2/20 0.40
HTT P42858 2/20 0.40
PARP1 P09874 1/20 0.40
BRD4 O60885 1/20 0.40
HSD11B1 P28845 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
GUSB P08236 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
CASP6 P55212 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL8290127 0.80 ALDH1A1 (0.45) HPGDALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL6425337 0.75 GRIN1 (0.39) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL6428004 0.75 CYP2C9 (0.40) HPGDALDH1A1CYP1A2CYP2C9KMT2A
SCHEMBL3059451 0.75 DPP4 (0.56)
SCHEMBL4008262 0.72 MAPT (0.55) HPGDALDH1A1CYP1A2MEN1KMT2A
SCHEMBL3521755 0.66 RECQL (0.54) HPGDALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL5072198 0.66 KMT2A (0.39) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL18796693 0.66 KDM4E (0.47) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL6427948 0.66 KMT2A (0.49) ALDH1A1KMT2AKDM4EGRIN1GRIN2B
SCHEMBL19665221 0.65 HPGD (1.00) HPGDALDH1A1CYP1A2CYP2C9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007505121-A 2007-03-08 JP claimed
EP-1699777-A1 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2006-09-13 EP claimed
WO-2005026148-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-03-24 WO claimed
US-20050065145-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-24 US claimed
US-7790734-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-07 US disclosed
US-7790734-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-07 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-20050065145-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 HPGD 1891/4885ALDH1A1 370/4885CYP1A2 1395/4885

“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.