SCHEMBL3118030

SCHEMBL3118030

CCCCCn1c(=O)n(CCCCC(=O)NCCc2ccccc2)c(=O)c2[nH]c(Cl)nc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.52
▸ MAPT P10636 2/20 0.51
▸ THRB P10828 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ ADORA1 P30542 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL3111070 0.95 KDM4E (0.51) TP53MAPTTHRBALDH1A1KDM4E
SCHEMBL3110193 0.93 HPGD (0.50) TP53THRBHPGDADORA1
SCHEMBL3108609 0.93 HPGD (0.53) TP53THRBHPGDADORA1
SCHEMBL3115779 0.91 ADORA1 (0.54) TP53MAPTTHRBALDH1A1MEN1
SCHEMBL3116713 0.89 ADORA1 (0.54) TP53MAPTTHRBALDH1A1MEN1
SCHEMBL3123537 0.89 ADORA2B (0.48) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL3119797 0.87 ADORA2B (0.54) ADORA1
SCHEMBL3118772 0.87 ADORA2B (0.54) THRBADORA1
SCHEMBL13248178 0.87 ADORA2A (0.46) ADORA1
SCHEMBL13248163 0.87 ADORA1 (0.45) ADORA1

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-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 — — US disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 — — US disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 — — 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-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 TP53 4012/4885MAPT 4059/4885THRB 284/4885

“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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