SCHEMBL3483969

SCHEMBL3483969

Cc1ccc(-c2cccc(OCC#N)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAOB P27338 5/20 0.44
MAOA P21397 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
PFKFB3 Q16875 1/20 0.43
CTSA P10619 2/20 0.43
ALKBH3 Q96Q83 1/20 0.42
DHODH Q02127 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR3 P22607 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALDH2 P05091 1/20 0.40
GLA P06280 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
SCHEMBL3484644 0.81 NAAA (0.43) MAOBMAOARXRARXRBPFKFB3
SCHEMBL8195129 0.81 ACHE (0.50) MAPTMAOBSMN1; SMN2KDM4EALDH1A1
SCHEMBL13192632 0.81 SMN1; SMN2 (0.46) FFAR4MAPTMAOBSMN1; SMN2KDM4E
SCHEMBL10093044 0.80 RXRA (0.64) FFAR4MAPTRXRARXRBDHODH
SCHEMBL18314371 0.80 RXRA (0.64) FFAR4MAPTRXRARXRBDHODH
SCHEMBL509575 0.78 FFAR1 (0.48) MAOBPFKFB3CTSASMN1; SMN2KDM4E
SCHEMBL14305059 0.78 MAOB (0.49) FFAR4CYP1A2MAPTCYP2C19MAOB
SCHEMBL4323479 0.77 FFAR4 (0.57) FFAR4CYP1A2MAPTCYP2C19MAOB
SCHEMBL3357599 0.77 ALDH1A1 (0.46) MAPTSMN1; SMN2KDM4EALDH1A1ALDH2
SCHEMBL20777164 0.75 FFAR4 (0.46) FFAR4CYP1A2MAPTCYP2C19MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES GENFIT (FR) 2010-01-07 US disclosed
US-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES GENFIT (FR) 2010-01-07 US disclosed
US-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES GENFIT (FR) 2010-01-07 US disclosed
EP-2049107-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES Genfit (FR) 2009-04-22 EP disclosed
WO-2008012470-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES GENFIT (FR) 2008-01-31 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 (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-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES IPO5, PPIP5K2, IPO4 FFAR4 3179/4885CYP1A2 45/4885MAPT 2878/4885

“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.