SCHEMBL13248126

SCHEMBL13248126

CCCCCn1c(=O)n(CCCCC(=O)NCc2ccc(F)cc2)c(=O)c2[nH]c(Cl)nc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.51
▸ TP53 P04637 3/20 0.49
▸ HTT P42858 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ADRB2 P07550 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ ADORA2B P29275 4/20 0.48
▸ ADORA2A P29274 3/20 0.48
▸ RXFP1 Q9HBX9 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 3/20 0.47
▸ ADORA1 P30542 4/20 0.46
▸ ADORA3 P0DMS8 1/20 0.45
▸ THRB P10828 1/20 0.45

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
SCHEMBL13248141 0.92 TP53 (0.57) TP53RXFP1POLBMAPTTHRB
SCHEMBL3115779 0.91 ADORA1 (0.54) TP53KMT2AALDH1A1ADORA2BADORA2A
SCHEMBL13248122 0.91 TP53 (0.56) HPGDTP53ALDH1A1ADORA2BADORA2A
SCHEMBL3120391 0.91 ADORA1 (0.48) HPGDTP53ALDH1A1ADORA2BADORA2A
SCHEMBL13248133 0.91 ADORA1 (0.49) TP53HTTKMT2AADORA2BADORA2A
SCHEMBL3119780 0.90 TP53 (0.47) HPGDTP53HTTALDH1A1ADORA2B
SCHEMBL13248135 0.90 RXFP1 (0.51) TP53HTTKMT2AALDH1A1ADORA2B
SCHEMBL3105820 0.90 ADORA2B (0.53) TP53KMT2AALDH1A1ADORA2BADORA2A
SCHEMBL13248127 0.90 TP53 (0.51) HPGDTP53KMT2AALDH1A1ADORA2B
SCHEMBL3116713 0.89 ADORA1 (0.54) TP53KMT2AALDH1A1ADORA2BADORA2A

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 2 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

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 HPGD 368/4885TP53 4012/4885HTT 1879/4885

“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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