SCHEMBL3104015

SCHEMBL3104015

CCCCn1c(=O)n(CCCC(=O)NCCc2cccc(C)c2)c(=O)c2[nH]c(Cl)nc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.49
▸ THRB P10828 1/20 0.49
▸ TP53 P04637 7/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ ADORA1 P30542 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ ADORA2B P29275 1/20 0.44

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
SCHEMBL3118898 0.92 TP53 (0.55) MAPTTHRBTP53RXFP1ADORA1
SCHEMBL3123551 0.91 THRB (0.47) MAPTTHRBTP53RXFP1ADORA1
SCHEMBL3111070 0.91 KDM4E (0.51) MAPTTHRBTP53ADORA1ADORA2A
SCHEMBL3117044 0.87 ADORA2A (0.46) MAPTRXFP1ADORA1ADORA2AADORA2B
SCHEMBL3114338 0.87 TP53 (0.52) MAPTTHRBTP53RXFP1ADORA1
SCHEMBL3118030 0.86 TP53 (0.52) MAPTTHRBTP53RXFP1ADORA1
SCHEMBL3111169 0.86 ADORA1 (0.48) THRBTP53ADORA1ADORA2AADORA2B
SCHEMBL13248162 0.85 MAPT (0.44) MAPTTP53RXFP1ADORA1ADORA2A
SCHEMBL3120729 0.83 ADORA2B (0.55) MAPTTHRBTP53ADORA1ADORA2A
SCHEMBL3121547 0.82 ADORA1 (0.44) MAPTTHRBTP53RXFP1ADORA1

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 MAPT 4059/4885THRB 284/4885TP53 4012/4885

“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.

Send feedback