SCHEMBL1767489

SCHEMBL1767489

O=C(NCc1cnc(Cl)s1)c1ccnc(N2CCN(Cc3ccc(OC(F)(F)F)cc3)C2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 9/20 0.43
▸ KLKB1 P03952 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 4/20 0.40
▸ CYP2C9 P11712 3/20 0.40
▸ CYP2C19 P33261 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTR2C P28335 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HDAC1 Q13547 2/20 0.37
▸ CACNA1G O43497 1/20 0.37
▸ CACNA1H O95180 1/20 0.37
▸ CACNA1I Q9P0X4 1/20 0.37
▸ GCGR P47871 1/20 0.37
▸ SLC8A1 P32418 1/20 0.37

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
SCHEMBL1767462 0.91 SCD (0.41) SCDKLKB1ALDH1A1HPGDCYP2C9
SCHEMBL17263334 0.91 SCD (0.44) SCDHDAC1SLC8A1
SCHEMBL1767464 0.90 HDAC1 (0.49) SCDHDAC1
SCHEMBL1767515 0.89 SCD (0.52) SCDKLKB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL1767533 0.86 SCD (0.45) SCDKLKB1KDM4EHDAC1
SCHEMBL1767547 0.86 SCD (0.54) SCDALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL1767525 0.85 SCD (0.44) SCDKLKB1ALDH1A1HPGDCYP2C9
SCHEMBL1767534 0.85 SCD (0.53) SCDALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL1767553 0.85 SCN3A (0.46) SCDKLKB1ALDH1A1HPGDCYP2C9
SCHEMBL17263335 0.81 SCD (0.42) SCDKLKB1HDAC1

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 9 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
CN-102119152-B Organic compounds NOVARTIS AG 2014-07-02 — — CN claimed
CN-102119152-A Organic compounds NOVARTIS AG 2011-07-06 — — CN 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-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.

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