SCHEMBL4898293

SCHEMBL4898293

Cc1ccccc1NC(=O)NCCF

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.69
ITGAV P06756 2/20 0.69
KMT2A Q03164 4/20 0.64
MEN1 O00255 2/20 0.64
ITGB1 P05556 1/20 0.64
ITGA5 P08648 1/20 0.64
GAA P10253 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.54
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
HPGD P15428 1/20 0.53
DDX3X O00571 1/20 0.53

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
SCHEMBL4893846 0.87 KMT2A (0.55) ITGB3ITGAVKMT2AMEN1ITGB1
SCHEMBL7443824 0.85 ITGB3 (0.71) ITGB3ITGAVKMT2AMEN1ITGB1
SCHEMBL4893227 0.82 POLB (0.72) ITGB3ITGAVKMT2AMEN1GAA
SCHEMBL17084270 0.82 KMT2A (0.69) ITGB3ITGAVKMT2AMEN1ITGB1
SCHEMBL4904022 0.81 POLB (0.51) ITGB3ITGAVKMT2AMEN1RAB9A
SCHEMBL11911371 0.81 ITGB3 (0.70) ITGB3ITGAVKMT2AMEN1ITGB1
SCHEMBL17079633 0.81 ITGB3 (0.66) ITGB3ITGAVKMT2AMEN1ITGB1
SCHEMBL4893345 0.80 HTT (0.58) ITGB3ITGAVKMT2AMEN1GAA
SCHEMBL1275926 0.80 RAB9A (0.75) ITGB3ITGAVKMT2AMEN1ITGB1
SCHEMBL17079630 0.80 KMT2A (0.70) ITGB3ITGAVKMT2AMEN1ITGB1

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 ITGB3 1700/4885ITGAV 1185/4885KMT2A 1150/4885

“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.