SCHEMBL1767525

SCHEMBL1767525

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 9/20 0.44
▸ KLKB1 P03952 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 4/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ GAA P10253 1/20 0.40
▸ ADRB2 P07550 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PDE2A O00408 1/20 0.39
▸ GCGR P47871 1/20 0.38
▸ HDAC1 Q13547 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
SCHEMBL17263326 0.91 SCD (0.45) SCDALDH1A1KDM4EHDAC1
SCHEMBL1767552 0.90 HDAC1 (0.48) SCDHDAC1
SCHEMBL1568368 0.89 SCD (0.54) SCDSMN1; SMN2KDM4EHDAC1
SCHEMBL1767547 0.87 SCD (0.54) SCDALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL1767401 0.86 SCD (0.45) SCDKLKB1ALDH1A1KDM4E
SCHEMBL1767489 0.85 SCD (0.43) SCDKLKB1ALDH1A1HPGDCYP2C9
SCHEMBL1767462 0.85 SCD (0.41) SCDKLKB1ALDH1A1HPGDCYP2C9
SCHEMBL1767553 0.84 SCN3A (0.46) SCDKLKB1ALDH1A1HPGDCYP2C9
SCHEMBL347750 0.84 SCD (0.60) SCD
SCHEMBL1767534 0.83 SCD (0.53) SCDALDH1A1SMN1; SMN2KDM4EGAA

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 8 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-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 SCD 1/4885KLKB1 4206/4885ALDH1A1 451/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885KLKB1 4206/4885ALDH1A1 451/4885

“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