SCHEMBL3583094

SCHEMBL3583094

Cc1ccc(-c2ccc(N)c(C#N)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.53
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PRKACA P17612 4/20 0.42
PRKACG P22612 4/20 0.42
PRKACB P22694 4/20 0.42
MAOA P21397 4/20 0.41
MAOB P27338 3/20 0.41
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL5072719 0.88 TDP1 (0.48) ARALDH1A1CYP3A4TDP1TSHR
SCHEMBL29268863 0.85 AR (0.57) ARALDH1A1CYP3A4TDP1TSHR
SCHEMBL14191689 0.85 TSHR (0.48) ARALDH1A1CYP3A4TDP1TSHR
SCHEMBL31037588 0.84 CYP3A4 (0.46) ARALDH1A1CYP3A4TDP1TSHR
SCHEMBL249865 0.84 CYP3A4 (0.52) ARALDH1A1CYP3A4TDP1TSHR
SCHEMBL5302056 0.82 MCL1 (0.50) ALDH1A1CYP3A4TDP1SMN1; SMN2KDM4E
SCHEMBL18406716 0.82 AR (0.62) ARALDH1A1KDM4ENPSR1RXFP1
SCHEMBL3274518 0.81 MCL1 (0.51) ALDH1A1CYP3A4TDP1TSHRSMN1; SMN2
SCHEMBL3574934 0.81 CYP11B1 (0.50) ALDH1A1CYP3A4KDM4EPRKACAPRKACG
SCHEMBL19608728 0.80 AR (0.56) ARALDH1A1TSHRSMN1; SMN2KDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691891-B2 Diphenylurea derivatives and their use as chloride channel blockers NEUROSEARCH A/S (DK) 2010-04-06 US disclosed
EP-1638948-B1 DIPHENYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH AS (DK) 2008-10-15 EP disclosed
US-20070293553-A1 Diphenylurea Derivatives Useful As Potassium Channel Activators NEUROSEARCH A/S (DK) 2007-12-20 US disclosed
EP-1827411-A2 DIPHENYLUREA DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2007-09-05 EP disclosed
US-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers NEUSEARCH A/S (DK) 2006-08-10 US disclosed
WO-2006064015-A2 DIPHENYLUREA DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2006-06-22 WO disclosed
EP-1638948-A1 DIPHENYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2006-03-29 EP disclosed
WO-2004111017-A1 DIPHENYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2004-12-23 WO 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 (2 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-20070293553-A1 Diphenylurea Derivatives Useful As Potassium Channel Activators KCNJ2, KCNH2, KCNH3 AR 1936/4885ALDH1A1 418/4885CYP3A4 1295/4885
US-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers CLIC1, CLIC4, CLCN2 AR 4545/4885ALDH1A1 1167/4885CYP3A4 2096/4885

“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.