SCHEMBL1767552

SCHEMBL1767552

Cc1cc(CNC(=O)c2ccnc(N3CCN(Cc4ccc(C(F)(F)F)cc4)C3=O)c2)no1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.48
▸ SCD O00767 10/20 0.46
▸ KDM1A O60341 1/20 0.41
▸ RORC P51449 4/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ ROCK2 O75116 1/20 0.40

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
SCHEMBL1568368 0.91 SCD (0.54) HDAC1SCDNAMPTROCK2
SCHEMBL1767525 0.90 SCD (0.44) HDAC1SCD
SCHEMBL17263326 0.88 SCD (0.45) HDAC1SCDNAMPTROCK2
SCHEMBL1767401 0.88 SCD (0.45) SCDNAMPTROCK2
SCHEMBL1767627 0.86 SCD (0.56) HDAC1SCDKDM1ARORC
SCHEMBL1767455 0.85 HDAC1 (0.52) HDAC1SCDKDM1A
SCHEMBL1767488 0.85 HDAC1 (0.49) HDAC1SCDKDM1ARORCROCK2
SCHEMBL1767464 0.85 HDAC1 (0.49) HDAC1SCDKDM1ARORCROCK2
SCHEMBL1767456 0.84 HDAC1 (0.49) HDAC1SCDKDM1AROCK2
SCHEMBL347032 0.83 SCD (0.63) HDAC1SCD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 — — US claimed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 — — US claimed
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 — — US disclosed
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 — — US disclosed
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 — — US disclosed
US-9187426-B2 Organic compounds NOVARTIS AG (CH) 2015-11-17 — — US disclosed
US-9187426-B2 Organic compounds NOVARTIS AG (CH) 2015-11-17 — — US disclosed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 — — US disclosed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 — — US disclosed
WO-2009156484-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 — — WO 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-20110105530-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 HDAC1 136/4885SCD 1/4885KDM1A 1068/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 HDAC1 136/4885SCD 1/4885KDM1A 1068/4885

“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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