SCHEMBL4897474

SCHEMBL4897474

O=C(NCCF)NCc1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.56
NPC1 O15118 2/20 0.49
CNR1 P21554 1/20 0.48
ALOX5 P09917 1/20 0.48
EPHX1 P07099 1/20 0.47
ATG4B Q9Y4P1 1/20 0.46
MAPT P10636 1/20 0.46
EPHX2 P34913 1/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45
F10 P00742 1/20 0.44
F7 P08709 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
RAB9A P51151 1/20 0.43

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
SCHEMBL4893863 0.83 EPHX1 (0.49) EPHX1MAPTEPHX2LMNA
SCHEMBL4903940 0.83 ANPEP (0.52) CNR1EPHX1ATG4BEPHX2LMNA
SCHEMBL4892249 0.82 FBP1 (0.53) NPC1CNR1EPHX1MAPTEPHX2
SCHEMBL16218919 0.82 MTOR (0.44) MTORNPC1ALOX5MAPTLMNA
SCHEMBL4892302 0.82 FOLH1 (0.53) MTOREPHX1MAPTEPHX2HPGD
SCHEMBL14088790 0.80 EPHX1 (0.71) NPC1EPHX1MAPTEPHX2LMNA
SCHEMBL26051525 0.80 MTOR (0.52) MTORNPC1ALOX5ATG4BMAPT
SCHEMBL14088778 0.78 ALDH1A1 (0.64) MAPTEPHX2LMNAHPGD
SCHEMBL1750050 0.77 CYP1A2 (0.58) MTORNPC1ALOX5MAPTLMNA
SCHEMBL17570500 0.76 AOC3 (0.65) MTORNPC1ALOX5MAPTLMNA

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 MTOR 4567/4885NPC1 873/4885CNR1 42/4885

“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.