SCHEMBL17670484

SCHEMBL17670484

CCc1cc(C(=O)O)cc(CNCc2nccn2Cc2ccc(F)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.44
▸ HSP90B1 P14625 1/20 0.44
▸ RAB9A P51151 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ WDR5 P61964 4/20 0.41
▸ TP53 P04637 1/20 0.39
▸ GRM2 Q14416 1/20 0.39
▸ P2RY14 Q15391 1/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ AGTR2 P50052 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38

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
SCHEMBL17544476 0.91 HSP90AA1 (0.43) HSP90AA1HSP90B1RAB9ALMNAWDR5
SCHEMBL17549883 0.90 HSP90AA1 (0.44) HSP90AA1HSP90B1RAB9ALMNAWDR5
SCHEMBL17670341 0.90 HSP90AA1 (0.47) HSP90AA1HSP90B1RAB9ALMNAWDR5
SCHEMBL17544785 0.87 HSP90AA1 (0.42) HSP90AA1HSP90B1RAB9ALMNAWDR5
SCHEMBL17549893 0.86 HSP90AA1 (0.41) HSP90AA1HSP90B1RAB9ALMNAWDR5
SCHEMBL17670432 0.86 HSP90AA1 (0.41) HSP90AA1HSP90B1RAB9ALMNAWDR5
SCHEMBL17670471 0.80 P2RY14 (0.38) HSP90AA1HSP90B1RAB9ATP53P2RY14
SCHEMBL17670437 0.80 HSP90AA1 (0.42) HSP90AA1HSP90B1RAB9ALMNAWDR5
SCHEMBL17544575 0.80 HSP90B1 (0.53) HSP90AA1HSP90B1WDR5
SCHEMBL17544568 0.78 HSP90AA1 (0.41) HSP90AA1HSP90B1LMNAWDR5TP53

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
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — 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-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES PHF8, KDM3A, PHF2 HSP90AA1 820/4885HSP90B1 2301/4885RAB9A 758/4885

“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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