SCHEMBL1767592

SCHEMBL1767592

Cn1cc(CNC(=O)c2ccnc(N3CCN(Cc4ccc(F)cc4)C3=O)c2)cn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ SCD O00767 9/20 0.50
▸ HDAC1 Q13547 1/20 0.46
▸ KLKB1 P03952 2/20 0.44
▸ KLK1 P06870 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ PIK3CA P42336 1/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ ALK Q9UM73 1/20 0.42
▸ RORC P51449 1/20 0.41
▸ ROCK2 O75116 1/20 0.41

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
SCHEMBL1767626 0.90 SCD (0.56) SMN1; SMN2SCDHDAC1KLKB1KLK1
SCHEMBL1767544 0.87 L3MBTL1 (0.54) SMN1; SMN2SCDHDAC1KLKB1KLK1
SCHEMBL1568693 0.87 SCD (0.62) SMN1; SMN2SCDHDAC1TP53RAB9A
SCHEMBL1767388 0.87 L3MBTL1 (0.54) SMN1; SMN2SCDHDAC1KLKB1KLK1
SCHEMBL17263333 0.87 SCD (0.53) SMN1; SMN2SCDHDAC1KLKB1KLK1
SCHEMBL1767389 0.86 SCD (0.50) SMN1; SMN2SCDHDAC1KLKB1KLK1
SCHEMBL1767467 0.85 SCD (0.52) SMN1; SMN2SCDHDAC1TP53RAB9A
SCHEMBL1767511 0.85 SCD (0.52) SMN1; SMN2SCDHDAC1TP53RAB9A
SCHEMBL1767484 0.85 SCD (0.66) SMN1; SMN2SCDHDAC1TP53
SCHEMBL1767405 0.84 SCD (0.55) SCDHDAC1TP53RAB9A

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 SMN1; SMN2 3581/4885SCD 1/4885HDAC1 136/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SMN1; SMN2 3581/4885SCD 1/4885HDAC1 136/4885

“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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