SCHEMBL18121968

SCHEMBL18121968

O=C(NCc1nccs1)c1ccnc(N2CCN(Cc3ccc(CF)cc3)C2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 12/20 0.42
▸ ROCK2 O75116 1/20 0.39
▸ HDAC1 Q13547 3/20 0.39
▸ PSMD14 O00487 1/20 0.38
▸ STAMBP O95630 1/20 0.38
▸ COPS5 Q92905 1/20 0.38
▸ ACKR3 P25106 1/20 0.38
▸ TSHR P16473 1/20 0.36

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
SCHEMBL1767807 0.94 SCD (0.49) SCDHDAC1TSHR
SCHEMBL1767456 0.91 HDAC1 (0.49) SCDROCK2HDAC1
SCHEMBL1767561 0.91 SCD (0.41) SCDROCK2HDAC1PSMD14STAMBP
SCHEMBL1767553 0.89 SCN3A (0.46) SCDHDAC1
SCHEMBL17263333 0.86 SCD (0.53) SCDHDAC1
SCHEMBL17263322 0.86 SCD (0.58) SCDTSHR
SCHEMBL1767626 0.82 SCD (0.56) SCDHDAC1
SCHEMBL1767688 0.79 SCD (0.50) SCDHDAC1TSHR
SCHEMBL1568693 0.79 SCD (0.62) SCDHDAC1
SCHEMBL1767388 0.79 L3MBTL1 (0.54) SCDHDAC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 — — 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 (1 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-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885ROCK2 3930/4885HDAC1 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.

Send feedback