SCHEMBL128718

SCHEMBL128718

N#CCC(c1ccccc1)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
GOPC Q9HD26 1/20 0.53
KCNA5 P22460 8/20 0.51
KCNH2 Q12809 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
TBXAS1 P24557 1/20 0.48
CYP19A1 P11511 1/20 0.47
KCNN4 O15554 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL9311705 0.85 PDE4D (0.43) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL127890 0.83 SLC6A3 (0.55) SLC6A2SLC6A4SLC6A3KCNA5KCNH2
Water SCHEMBL5164513 0.82 PBRM1 (0.47) KDM4E
SCHEMBL3952853 0.82 PBRM1 (0.47) KDM4E
SCHEMBL6344248 0.81 CYP19A1 (0.50) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL8317214 0.81 PBRM1 (0.42) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL9312096 0.79 ALDH1A1 (0.41) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL12303932 0.79 CYP19A1 (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL4452256 0.79 SMN1; SMN2 (0.50) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL4452260 0.79 SMN1; SMN2 (0.50) CFTRSLC6A2SLC6A4SLC6A3GOPC

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 14 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-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SASU (FR) 2012-11-08 US disclosed
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
US-8247412-B2 Urea derivatives methods for their manufacture and uses thereof GALAPAGOS SASU (FR) 2012-08-21 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
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof PROSKELIA SAS (FR) 2010-09-23 US disclosed
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof PROSKELIA SAS (FR) 2010-09-23 US disclosed
CN-101238120-A Urea derivatives, process for their preparation and their use GALAPAGOS SAS (FR) 2008-08-06 CN 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 CFTR 1018/4885SLC6A2 3896/4885SLC6A4 4269/4885
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof UGP2, UTS2R, UMPS CFTR 1226/4885SLC6A2 3644/4885SLC6A4 4393/4885

“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.