SCHEMBL4896207

SCHEMBL4896207

Cc1c(Cl)cccc1CNC(=O)NCCF

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
CASR P41180 1/20 0.49
P2RX7 Q99572 16/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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) RAB9ANPC1CASRP2RX7MEN1
SCHEMBL4893825 0.84 RAB9A (0.57) RAB9ANPC1CASRP2RX7MEN1
SCHEMBL4895030 0.83 NPC1 (0.47) RAB9ANPC1CASRP2RX7MEN1
SCHEMBL4893187 0.82 NPC1 (0.51) RAB9ANPC1CASRMEN1KMT2A
SCHEMBL3126847 0.80 P2RX7 (0.56) RAB9ANPC1P2RX7
SCHEMBL4900916 0.79 ALDH1A1 (0.55) RAB9ANPC1MEN1KMT2A
SCHEMBL18255096 0.79 P2RX7 (0.54) RAB9ANPC1P2RX7
SCHEMBL5797618 0.77 P2RX7 (0.53) RAB9ANPC1P2RX7
SCHEMBL16709621 0.77 P2RX7 (0.53) RAB9ANPC1P2RX7
SCHEMBL15313573 0.77 ALDH1A1 (0.43) RAB9ANPC1CASRMEN1KMT2A

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 RAB9A 1593/4885NPC1 873/4885CASR 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.