SCHEMBL1767386

SCHEMBL1767386

O=C(NCc1cc(-c2ccccc2)on1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 10/20 0.52
▸ TP53 P04637 3/20 0.44
▸ ROCK2 O75116 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ PRKCA P17252 1/20 0.44
▸ GRK2 P25098 1/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 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 0.88 SCD (0.54) SCDTP53ROCK2SMN1; SMN2MAPT
SCHEMBL1568693 0.87 SCD (0.62) SCDTP53SMN1; SMN2MAPTHDAC1
SCHEMBL12648807 0.87 SCD (0.68) SCDTP53SMN1; SMN2MAPTHDAC1
SCHEMBL1767404 0.86 SCD (0.51) SCDTP53SMN1; SMN2MAPTHDAC1
Hydrochloric Acid SCHEMBL1568728 0.86 SCD (0.67) SCDTP53SMN1; SMN2MAPTHDAC1
SCHEMBL1767626 0.85 SCD (0.56) SCDTP53SMN1; SMN2MAPTHDAC1
SCHEMBL1767529 0.84 SCD (0.57) SCDTP53SMN1; SMN2MAPTHDAC1
SCHEMBL1767555 0.83 SCD (0.51) SCDTP53SMN1; SMN2MAPTHDAC1
SCHEMBL1767388 0.82 L3MBTL1 (0.54) SCDTP53SMN1; SMN2MAPTHDAC1
SCHEMBL17263333 0.82 SCD (0.53) SCDTP53SMN1; SMN2MAPTHDAC1

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-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

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 1/4885TP53 4010/4885ROCK2 3930/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885TP53 4010/4885ROCK2 3930/4885

“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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