SCHEMBL15905720

SCHEMBL15905720

CCCc1ccc(C#N)cc1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2A6 P11509 2/20 0.41
ALDH1A1 P00352 1/20 0.40
HRH4 Q9H3N8 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CTSK P43235 2/20 0.38
CTSS P25774 1/20 0.38
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
CYP19A1 P11511 2/20 0.36
AR P10275 3/20 0.35

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
SCHEMBL2154771 0.90 CYP2A6 (0.44) MEN1KMT2ACYP2A6ALDH1A1FFAR1
SCHEMBL13764459 0.86 TSHR (0.49) MEN1KMT2ACYP2A6ALDH1A1TSHR
SCHEMBL18179299 0.85 MEN1 (0.44) MEN1KMT2ACYP2A6ALDH1A1HRH4
SCHEMBL12763619 0.84 CYP2A6 (0.48) CYP2A6ALDH1A1FFAR1FFAR4KDM5A
SCHEMBL12226952 0.83 FFAR1 (0.40) CYP2A6ALDH1A1FFAR1FFAR4KDM5A
SCHEMBL2153680 0.82 CYP2A6 (0.44) CYP2A6ALDH1A1FFAR1FFAR4KDM5A
SCHEMBL16952354 0.81
SCHEMBL9641171 0.81 MEN1 (0.44) MEN1KMT2ACYP2A6ALDH1A1HRH4
SCHEMBL30468698 0.81 MEN1 (0.44) MEN1KMT2ACYP2A6ALDH1A1HRH4
SCHEMBL12663273 0.81 CYP2A6 (0.45) MEN1KMT2ACYP2A6ALDH1A1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-8791142-B2 Oxazole pyridine derivatives useful as S1P1 receptor agonists MERCK SERONO S.A. (CH) 2014-07-29 US disclosed
US-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO SA (CH) 2011-12-15 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-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR5 MEN1 958/4885KMT2A 3880/4885CYP2A6 3588/4885

“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.