SCHEMBL130078

SCHEMBL130078

CN(C)c1ccc(-c2csc(N)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.60
ATP4B P51164 2/20 0.60
ALDH1A1 P00352 7/20 0.59
RAB9A P51151 6/20 0.59
LTA4H P09960 6/20 0.59
NPC1 O15118 5/20 0.59
MAPT P10636 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
KDM4E B2RXH2 3/20 0.59
NFKB1 P19838 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
KMT2A Q03164 1/20 0.59
MKNK1 Q9BUB5 1/20 0.59
MKNK2 Q9HBH9 1/20 0.59
ALOX5 P09917 1/20 0.59
POLB P06746 1/20 0.59
CYP3A4 P08684 1/20 0.55

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
SCHEMBL1771825 0.84 ALDH1A1 (0.79) ALDH1A1RAB9ALTA4HNPC1MAPT
SCHEMBL17409321 0.83 ATP4A (0.58) ATP4AATP4BRAB9ANPC1MAPT
SCHEMBL23610361 0.82 ALDH1A1 (0.83) ALDH1A1RAB9ALTA4HNPC1MAPT
SCHEMBL19626485 0.81 GAA (0.57) ATP4AATP4BALDH1A1RAB9ANPC1
SCHEMBL172198 0.81 LTA4H (0.54) ALDH1A1RAB9ALTA4HNPC1MAPT
SCHEMBL30030077 0.80 ALDH1A1 (0.59) ALDH1A1RAB9ALTA4HNPC1MAPT
Bromide SCHEMBL6832827 0.80 RAB9A (0.56) ALDH1A1RAB9ALTA4HNPC1MAPT
SCHEMBL26246346 0.80 ALDH1A1 (0.59) ALDH1A1RAB9ALTA4HNPC1MAPT
SCHEMBL231094 0.79 LTA4H (0.80) ALDH1A1RAB9ALTA4HNPC1MAPT
SCHEMBL15303372 0.78 ATP4A (0.50) ATP4AATP4BALDH1A1RAB9ANPC1

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 ATP4A 2281/4885ATP4B 1297/4885ALDH1A1 375/4885
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof UGP2, UTS2R, UMPS ATP4A 2363/4885ATP4B 1962/4885ALDH1A1 564/4885

“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.