SCHEMBL4484508

SCHEMBL4484508

Cc1sc(/C=C/c2ccccc2)nc1CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 7/20 0.42
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 3/20 0.42
GLA P06280 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
HDAC6 Q9UBN7 3/20 0.40
HDAC1 Q13547 2/20 0.40
PAM P19021 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 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
SCHEMBL4484512 1.00 NPC1 (0.44) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL4483673 0.81 RAB9A (0.40) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL4483670 0.81 RAB9A (0.40) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL6584167 0.81 RAB9A (0.41) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL6584170 0.81 RAB9A (0.41) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL4492958 0.77 ALDH1A1 (0.38) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL4492962 0.77 ALDH1A1 (0.38) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL3537226 0.73 PTGDR2 (0.56) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL4467304 0.72 KDM4E (0.58) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL4467298 0.72 KDM4E (0.58) NPC1RAB9AKMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557123-B2 Heterocyclic compound and medicinal use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2009-07-07 US disclosed
US-20040220215-A1 Novel heterocyclic compound and medicinal use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2004-11-04 US disclosed
EP-1403253-A1 NOVEL HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2004-03-31 EP 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-20040220215-A1 Novel heterocyclic compound and medicinal use thereof GPR119, INSR, GLP1R NPC1 386/4885RAB9A 2622/4885KMT2A 2498/4885

“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.