SCHEMBL4893863

SCHEMBL4893863

O=C(NCCF)NCc1cccc(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 2/20 0.47
HIF1A Q16665 1/20 0.47
EPHX2 P34913 1/20 0.46
SRC P12931 1/20 0.46
ENPP2 Q13822 1/20 0.44
GABRP O00591 1/20 0.44

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
SCHEMBL4903940 0.84 ANPEP (0.52) EPHX1MAPK1LMNAROCK2ROCK1
SCHEMBL4897474 0.83 MTOR (0.56) EPHX1LMNAMAPTEPHX2
SCHEMBL4892302 0.83 FOLH1 (0.53) EPHX1MAPTEPHX2
SCHEMBL4892249 0.83 FBP1 (0.53) EPHX1KDM4ELMNAMAPTROCK2
SCHEMBL14088790 0.82 EPHX1 (0.71) EPHX1CYP1A2LMNAMAPTEPHX2
SCHEMBL4903810 0.80 MEN1 (0.52) EPHX1KMT2AKDM4EROCK2ROCK1
SCHEMBL14088778 0.80 ALDH1A1 (0.64) ALOX15KMT2AKDM4ELMNAMAPT
SCHEMBL22026435 0.79 CYP1A2 (0.62) CYP1A2CYP3A4PKMALOX15NFKB1
SCHEMBL14289839 0.79 CYP1A2 (0.53) CYP1A2CYP3A4PKMALOX15NFKB1
SCHEMBL2806074 0.76 CYP1A2 (0.59) CYP1A2CYP3A4PKMALOX15NFKB1

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 EPHX1 1104/4885CYP1A2 155/4885CYP3A4 697/4885

“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.