SCHEMBL330645

SCHEMBL330645

c1ccc(Cc2ncc(-c3ccccc3)s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.57
ERCC5 P28715 1/20 0.57
FEN1 P39748 1/20 0.57
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
CDK5 Q00535 1/20 0.48
KDR P35968 7/20 0.46
QPCT Q16769 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LOXL3 P58215 1/20 0.43
HTR7 P34969 1/20 0.42
SLC5A2 P31639 2/20 0.41
LMNA P02545 2/20 0.41
HPGDS O60760 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL10609553 0.90 ALDH1A1 (0.48) LOXL2ERCC5FEN1CCNE1CDK2
SCHEMBL17014778 0.79 LOXL2 (0.58) LOXL2ERCC5FEN1CCNE1CDK2
SCHEMBL2226631 0.79 LOXL2 (0.58) LOXL2ERCC5FEN1CCNE1CDK2
SCHEMBL21812622 0.79 LOXL2 (0.84) LOXL2ERCC5FEN1KDRLOXL3
SCHEMBL8830055 0.79 LOXL2 (0.58) LOXL2ERCC5FEN1CCNE1CDK2
SCHEMBL28207097 0.79 LOXL2 (0.58) LOXL2ERCC5FEN1CCNE1CDK2
SCHEMBL2226003 0.79 ERCC5 (0.63) LOXL2ERCC5FEN1CCNE1CDK2
SCHEMBL9665362 0.79 LOXL2 (0.58) LOXL2ERCC5FEN1CCNE1CDK2
SCHEMBL5703554 0.78 LOXL2 (0.54) LOXL2ERCC5FEN1CCNE1CDK2
SCHEMBL24381568 0.77 LOXL2 (0.40) LOXL2ERCC5FEN1KDRQPCT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104109155-A Novel compounds TANABE SEIYAKU CO 2014-10-22 CN disclosed
CN-103819465-A Novel compound MITSUBISHI TANABE PHARMA CORP 2014-05-28 CN disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 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-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A LOXL2 4008/4885ERCC5 4698/4885FEN1 4519/4885

“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.