SCHEMBL12962848

SCHEMBL12962848

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 2/20 0.47
▸ IDO1 P14902 2/20 0.42
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 1/20 0.37
▸ SMO Q99835 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ CBX7 O95931 1/20 0.36
▸ CDYL2 Q8N8U2 1/20 0.36
▸ CDYL Q9Y232 1/20 0.36
▸ CDY1; CDY1B Q9Y6F8 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GSK3B P49841 1/20 0.35

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
SCHEMBL10314564 0.89 SMO (0.44) MEN1KMT2AMAPTSMOSMN1; SMN2
SCHEMBL10314586 0.85 CXCR3 (0.47) CXCR3IDO1MEN1KMT2AMAPT
SCHEMBL1061681 0.83 CXCR3 (0.45) CXCR3IDO1MEN1KMT2AMAPT
SCHEMBL10314560 0.81 NPC1 (0.39) MEN1KMT2AMAPTSMOSMN1; SMN2
SCHEMBL13708822 0.77 SMO (0.48) CXCR3IDO1MEN1KMT2AMAPT
SCHEMBL10314563 0.77 LMNA (0.49) CXCR3MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10314562 0.77 SMO (0.48) MEN1KMT2AMAPTSMOSMN1; SMN2
SCHEMBL10314550 0.76 SMO (0.49) MEN1KMT2AMAPTSMOSMN1; SMN2
SCHEMBL12962850 0.75 SMO (0.54) CXCR3IDO1MEN1KMT2AMAPT
SCHEMBL12963051 0.74 KDM4E (0.39) MEN1KMT2AMAPTSMN1; SMN2

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-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 — — 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-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 CXCR3 1270/4885IDO1 1358/4885MEN1 1922/4885

“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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