SCHEMBL1767490

SCHEMBL1767490

O=C(NCc1csc(C(F)(F)F)n1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 10/20 0.50
▸ HDAC1 Q13547 2/20 0.43
▸ TP53 P04637 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ RHOC P08134 1/20 0.39
▸ RHOA P61586 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KLKB1 P03952 1/20 0.38
▸ KLK1 P06870 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ THRB P10828 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
SCHEMBL1767537 0.89 SCD (0.55) SCDHDAC1TP53RAB9ATSHR
SCHEMBL1767626 0.85 SCD (0.56) SCDHDAC1TP53RAB9AKLKB1
SCHEMBL1767455 0.85 HDAC1 (0.52) SCDHDAC1TP53RAB9AMAPT
SCHEMBL12648807 0.83 SCD (0.68) SCDHDAC1TP53MAPTSMN1; SMN2
SCHEMBL1568368 0.83 SCD (0.54) SCDHDAC1TP53RAB9ATSHR
SCHEMBL1767467 0.83 SCD (0.52) SCDHDAC1TP53RAB9AMAPT
SCHEMBL1767511 0.83 SCD (0.52) SCDHDAC1TP53RAB9AMAPT
Hydrochloric Acid SCHEMBL1568728 0.82 SCD (0.67) SCDHDAC1TP53MAPTSMN1; SMN2
SCHEMBL1767404 0.82 SCD (0.51) SCDHDAC1TP53RAB9ATSHR
SCHEMBL1767807 0.82 SCD (0.49) SCDHDAC1TP53RAB9ATSHR

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
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-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 SCD 1/4885HDAC1 136/4885TP53 4010/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885HDAC1 136/4885TP53 4010/4885

“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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