SCHEMBL4893345

SCHEMBL4893345

O=C(NCCF)Nc1ccccc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.58
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
CXCR1 P25024 4/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
ANPEP P15144 1/20 0.48
CXCR2 P25025 4/20 0.47
ITGB3 P05106 1/20 0.45
ITGAV P06756 1/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45

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
SCHEMBL4898293 0.80 ITGB3 (0.69) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL13235126 0.80 HTT (0.81) HTTKMT2AMEN1RAB9ANPC1
SCHEMBL13480591 0.79 GAA (0.59) HTTKMT2AMEN1RAB9ANPC1
SCHEMBL4893227 0.79 POLB (0.72) HTTKMT2AMEN1SMN1; SMN2GAA
SCHEMBL4902252 0.78 EPHX1 (0.73) KMT2AMEN1RAB9ANPC1LMNA
SCHEMBL27953196 0.77 CFD (0.67) HTTKMT2AMEN1RAB9ANPC1
SCHEMBL10906283 0.76 HTT (0.69) HTTKMT2AMEN1RAB9ANPC1
SCHEMBL3579816 0.76 LMNA (0.50) HTTKMT2AMEN1RAB9ANPC1
SCHEMBL4902891 0.75 KMT2A (0.50) KMT2ARAB9ANPC1LMNAMAPT
SCHEMBL15338073 0.75 L3MBTL1 (0.57) HTTKMT2AMEN1RAB9ANPC1

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 HTT 2853/4885KMT2A 1150/4885MEN1 3899/4885

“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.