SCHEMBL24312485

SCHEMBL24312485

CSc1cc2ccccc2[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.59
DAO P14920 2/20 0.55
DDO Q99489 1/20 0.55
KDR P35968 2/20 0.51
CHEK1 O14757 1/20 0.51
GRIN2D O15399 2/20 0.48
GRIN3B O60391 2/20 0.48
GRIN1 Q05586 2/20 0.48
GRIN2A Q12879 2/20 0.48
GRIN2B Q13224 2/20 0.48
GRIN2C Q14957 2/20 0.48
GRIN3A Q8TCU5 2/20 0.48
KDM4E B2RXH2 9/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
HSD17B10 Q99714 2/20 0.44
CYP1A2 P05177 1/20 0.44
FLT3 P36888 1/20 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
SCHEMBL24437013 0.81 DAO (0.55) BRD4DAODDOKDRCHEK1
SCHEMBL28901781 0.79 DAO (0.51) BRD4DAODDOKDRCHEK1
SCHEMBL28465606 0.77 DAO (0.50) BRD4DAODDOKDRCHEK1
SCHEMBL22017082 0.76 DAO (0.59) DAOKDRFGFR1CA12CA1
SCHEMBL248620 0.75 BRD4 (1.00) BRD4DAODDOKDRCHEK1
SCHEMBL29979393 0.75 BRD4 (1.00) BRD4DAODDOKDRCHEK1
SCHEMBL30278825 0.75 DAO (0.60) BRD4DAODDOKDRCHEK1
SCHEMBL24437073 0.74 KDM4E (0.57) BRD4DAODDOKDM4EALDH1A1
Hydrochloric Acid SCHEMBL30293227 0.73 BRD4 (0.96) BRD4DAODDOKDRCHEK1
SCHEMBL24312059 0.73 ATAD2 (0.64) DAOKDM4EALDH1A1FGFR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 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-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B BRD4 507/4885DAO 4523/4885DDO 4416/4885

“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.