SCHEMBL4901099

SCHEMBL4901099

O=C(NCCF)NCc1cccc(Br)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
CASR P41180 1/20 0.43
ANPEP P15144 2/20 0.38
KMT2A Q03164 7/20 0.37
MEN1 O00255 4/20 0.37
RIPK1 Q13546 1/20 0.37
P2RX7 Q99572 3/20 0.36
EPHX1 P07099 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
EPHX2 P34913 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4898824 0.85 NPC1 (0.58) NPC1RAB9ACASRKMT2AMEN1
SCHEMBL4902891 0.85 KMT2A (0.50) NPC1RAB9ACASRANPEPKMT2A
SCHEMBL4895030 0.83 NPC1 (0.47) NPC1RAB9ACASRKMT2AMEN1
SCHEMBL4897456 0.81 P2RX7 (0.55) P2RX7
SCHEMBL4904332 0.80 KMT2A (0.46) NPC1RAB9AANPEPKMT2AMEN1
SCHEMBL15313574 0.79 P2RX7 (0.47) NPC1RAB9AP2RX7
SCHEMBL4893825 0.78 RAB9A (0.57) NPC1RAB9ACASRKMT2AMEN1
SCHEMBL4896207 0.77 RAB9A (0.55) NPC1RAB9ACASRKMT2AMEN1
SCHEMBL4901844 0.74 PPIA (0.55) NPC1RAB9AKMT2AMEN1RIPK1
SCHEMBL4893187 0.74 NPC1 (0.51) NPC1RAB9ACASRKMT2AMEN1

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 1593/4885CASR 839/4885

“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.