SCHEMBL6517705

SCHEMBL6517705

CCNC(=O)c1ccc(Br)nc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HPGDS O60760 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GABRA1 P14867 1/20 0.43
CDK8 P49336 1/20 0.43
HCAR3 P49019 1/20 0.42
GABRA5 P31644 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL17796689 0.81 GABRA5 (0.46) HDAC1HDAC6KDM4EGABRA5
SCHEMBL1462224 0.81 MLYCD (0.56) HDAC1HDAC6KDM4E
SCHEMBL9561524 0.81 ALDH1A1 (0.51) HPGDSKDM4E
SCHEMBL5431621 0.81 KDM4E (0.67) HDAC1HDAC6HPGDSKDM4EGABRA1
SCHEMBL28634841 0.81 HDAC6 (0.47) HDAC1HDAC6KDM4EHCAR3
SCHEMBL856809 0.80 BAZ2B (0.56) HDAC1HDAC6HPGDS
SCHEMBL3298763 0.80 ALDH1A1 (0.56) HDAC1HDAC6KDM4E
SCHEMBL22692894 0.79 HPGDS (0.46) HDAC1HDAC6HPGDSKDM4EHCAR3
SCHEMBL11982165 0.79 HDAC1 (0.64) HDAC1HDAC6HPGDSKDM4EGABRA1
SCHEMBL4395941 0.79 L3MBTL1 (0.63)

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
EP-2593102-B1 OXAZOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME (US) 2017-06-07 EP disclosed
US-9073879-B2 Oxazole derivatives useful as modulators of FAAH MERCK SHARP & DOHME CORP. (US) 2015-07-07 US disclosed
US-20130012526-A1 OXAZOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-01-10 US disclosed
US-20110059942-A1 Azetidinyl G-Protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2011-03-10 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 (2 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-20110059942-A1 Azetidinyl G-Protein Coupled Receptor Agonists GPR119, GIPR, GPR39 HDAC1 3720/4885HDAC6 4111/4885HPGDS 588/4885
US-20130012526-A1 OXAZOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH FAAH, FAAH2, ALOX5 HDAC1 804/4885HDAC6 833/4885HPGDS 319/4885

“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.