SCHEMBL128075

SCHEMBL128075

Cc1ccccc1/C(=C\C#N)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.53
PDE4B Q07343 6/20 0.53
PDE4C Q08493 6/20 0.53
PDE4D Q08499 6/20 0.53
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SLC6A1 P30531 2/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL128076 1.00 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL247446 0.80 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DALDH1A1
Benzene SCHEMBL28266121 0.80 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6548199 0.79 NPC1 (0.42) NPC1RAB9ASLC6A1KCNK3KCNK9
SCHEMBL7925207 0.79 NPC1 (0.42) NPC1RAB9ASLC6A1KCNK3KCNK9
SCHEMBL8999182 0.78 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL8999173 0.78 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL24704162 0.76 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL24704152 0.76 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL3226760 0.76 PDE4A (0.54) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SASU (FR) 2012-11-08 US disclosed
US-8247412-B2 Urea derivatives methods for their manufacture and uses thereof GALAPAGOS SASU (FR) 2012-08-21 US disclosed
EP-1874765-B1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE AND USES THEREOF GALAPAGOS SAS (FR) 2012-03-07 EP disclosed
EP-2354137-A1 Urea derivatives, methods for their manufacture, and uses thereof Galapagos SAS (FR) 2011-08-10 EP disclosed
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof PROSKELIA SAS (FR) 2010-09-23 US disclosed
EP-1874765-A2 UREA DERIVATIVES METHODS FOR THEIR MANUFACTURE AND USES THEREOF Proskelia SAS (FR) 2008-01-09 EP disclosed
WO-2006117211-A2 UREA DERIVATIVES METHODS FOR THEIR MANUFACTURE AND USES THEREOF PROSKELIA SAS (FR) 2006-11-09 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-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR UTS2R, UGP2, SLC14A1 PDE4A 2473/4885PDE4B 1558/4885PDE4C 2648/4885
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof UGP2, UTS2R, UMPS PDE4A 1818/4885PDE4B 1626/4885PDE4C 1873/4885

“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.