SCHEMBL4892285

SCHEMBL4892285

O=C(NCCF)NCc1ccccc1I

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CASR P41180 1/20 0.43
EPHX1 P07099 1/20 0.42
EPHX2 P34913 4/20 0.41
FOLH1 Q04609 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
PPIA P62937 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
MAPK8 P45983 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL4898248 0.88 RAB9A (0.42) NPC1RAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL4901844 0.82 PPIA (0.55) NPC1RAB9ACYP2C19PPIAMEN1
SCHEMBL4902891 0.81 KMT2A (0.50) NPC1RAB9ACASREPHX1EPHX2
SCHEMBL4900916 0.81 ALDH1A1 (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL15313573 0.79 ALDH1A1 (0.43) NPC1RAB9ACASREPHX1MEN1
SCHEMBL4901901 0.78 EPHX2 (0.52) NPC1RAB9AEPHX2
SCHEMBL27847648 0.78 CYP1A2 (0.51) NPC1RAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL17161276 0.78 NPC1 (0.49) NPC1RAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL14088790 0.76 EPHX1 (0.71) NPC1RAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL4898824 0.75 NPC1 (0.58) NPC1RAB9ACYP1A2CYP2D6CYP2C9

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 NPC1 873/4885RAB9A 1593/4885CYP1A2 155/4885

“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.