SCHEMBL4892249

SCHEMBL4892249

Cc1cccc(CNC(=O)NCCF)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.53
OPRM1 P35372 1/20 0.53
MMP13 P45452 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CNR1 P21554 1/20 0.48
EPHX1 P07099 1/20 0.47
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
TP53 P04637 1/20 0.46
EPHX2 P34913 1/20 0.45
ASAH1 Q13510 1/20 0.45

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
SCHEMBL23447431 0.84 FBP1 (0.58) FBP1OPRM1MMP13SMN1; SMN2KDM4E
SCHEMBL4903940 0.83 ANPEP (0.52) OPRM1RAB9ACNR1EPHX1ROCK2
SCHEMBL4893863 0.83 EPHX1 (0.49) KDM4EEPHX1ROCK2ROCK1LMNA
SCHEMBL4897474 0.82 MTOR (0.56) HPGDNPC1RAB9ACNR1EPHX1
SCHEMBL4892302 0.82 FOLH1 (0.53) SMN1; SMN2ALDH1A1HPGDEPHX1MAPT
SCHEMBL14088778 0.81 ALDH1A1 (0.64) MMP13SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL13853490 0.81 FBP1 (0.58) FBP1OPRM1MMP13SMN1; SMN2KDM4E
SCHEMBL14088790 0.80 EPHX1 (0.71) SMN1; SMN2ALDH1A1NPC1RAB9AEPHX1
SCHEMBL23447432 0.79 MLYCD (0.58) SMN1; SMN2KDM4EHPGDNPC1RAB9A
SCHEMBL1684294 0.79 MMP13 (0.62) FBP1MMP13SMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557853-B2 Aryl fluoroethyl ureas acting as alpha 2 adrenergic agents ALLERGAN, INC. (US) 2013-10-15 US disclosed
US-8557853-B2 Aryl fluoroethyl ureas acting as alpha 2 adrenergic agents ALLERGAN, INC. (US) 2013-10-15 US disclosed
US-8557853-B2 Aryl fluoroethyl ureas acting as alpha 2 adrenergic agents ALLERGAN, INC. (US) 2013-10-15 US disclosed
US-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ALLERGHAN, INC. 2008-08-14 US disclosed
US-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ALLERGHAN, INC. 2008-08-14 US disclosed
US-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ALLERGHAN, INC. 2008-08-14 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-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2C, ADRA2A FBP1 1978/4885OPRM1 19/4885MMP13 4869/4885

“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.