SCHEMBL10314586

SCHEMBL10314586

CCc1cc2c(c(O)c(C(=O)O)n2C)c(=O)n1CC(=O)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 2/20 0.47
▸ IDO1 P14902 2/20 0.43
▸ SMO Q99835 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ CBX7 O95931 1/20 0.37
▸ CDYL2 Q8N8U2 1/20 0.37
▸ CDYL Q9Y232 1/20 0.37
▸ CDY1; CDY1B Q9Y6F8 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ERCC5 P28715 1/20 0.36
▸ FEN1 P39748 1/20 0.36

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
SCHEMBL3426735 0.90 SMO (0.49) SMOMEN1KMT2ASMN1; SMN2
SCHEMBL1061681 0.90 CXCR3 (0.45) CXCR3IDO1SMOMEN1KMT2A
SCHEMBL13708822 0.87 SMO (0.48) CXCR3IDO1SMOMEN1KMT2A
SCHEMBL10314590 0.87 SMN1; SMN2 (0.48) SMOMAPTCBX7CDYL2CDYL
SCHEMBL12962848 0.85 CXCR3 (0.47) CXCR3IDO1SMOMEN1KMT2A
SCHEMBL1060340 0.83 SMO (0.60) CXCR3IDO1SMOMEN1KMT2A
SCHEMBL3430411 0.82 SMO (0.42) SMOMAPTSMN1; SMN2
SCHEMBL1056839 0.80 KMT2A (0.49) SMOMEN1KMT2AMAPT
SCHEMBL10004581 0.79 SMO (0.49) SMOMEN1KMT2A
SCHEMBL10004576 0.78 LMNA (0.51) SMO

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-102015705-B Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL 2013-11-13 — — CN disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 — — US disclosed
CN-102015705-A Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL 2011-04-13 — — CN disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — 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-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 CXCR3 1510/4885IDO1 1264/4885SMO 1/4885

“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.

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