SCHEMBL4893933

SCHEMBL4893933

Cc1cccc(CNC(=O)NCCF)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
ADORA2A P29274 3/20 0.42
RAB9A P51151 3/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
BACE1 P56817 1/20 0.41
MEN1 O00255 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 2/20 0.40
POLB P06746 1/20 0.40
SLC40A1 Q9NP59 1/20 0.40
P2RX7 Q99572 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4895043 0.82 NPSR1 (0.45) NPSR1SMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL13734815 0.79 NPSR1 (0.59) NPSR1MAPK1SMN1; SMN2ADORA2ARAB9A
SCHEMBL4664171 0.78 NPSR1 (0.79) NPSR1MAPK1SMN1; SMN2ADORA2ARAB9A
SCHEMBL29339283 0.77 NPSR1 (0.53) NPSR1MAPK1SMN1; SMN2ADORA2ARAB9A
SCHEMBL4893352 0.76 SMN1; SMN2 (0.63) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL19151041 0.75 NPSR1 (0.54) NPSR1MAPK1SMN1; SMN2ADORA2ARAB9A
SCHEMBL25386419 0.74 NPSR1 (0.53) NPSR1MAPK1SMN1; SMN2ADORA2ARAB9A
SCHEMBL20667281 0.74 NPSR1 (0.53) NPSR1MAPK1SMN1; SMN2ADORA2ARAB9A
SCHEMBL30695493 0.74 P2RX7 (0.63) NPSR1MAPK1SMN1; SMN2RAB9AMEN1
SCHEMBL4904477 0.72 KMT2A (0.45) MAPK1SMN1; SMN2RAB9AKMT2ANPC1

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 NPSR1 164/4885MAPK1 2868/4885SMN1; SMN2 2419/4885

“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.