SCHEMBL127798

SCHEMBL127798

Cc1cc(-c2csc(N)n2)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.58
XIAP P98170 1/20 0.55
ALDH1A1 P00352 9/20 0.54
RAB9A P51151 9/20 0.54
MAPT P10636 8/20 0.54
NPC1 O15118 7/20 0.54
SMN1; SMN2 Q16637 7/20 0.54
KDM4E B2RXH2 3/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
AR P10275 1/20 0.54
GFER P55789 1/20 0.54
LTA4H P09960 4/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HPGD P15428 2/20 0.50
TP53 P04637 2/20 0.50
POLB P06746 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL474314 0.84 RAB9A (0.59) ABL1ALDH1A1RAB9AMAPTNPC1
SCHEMBL7236001 0.84 ALDH1A1 (0.59) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL25242184 0.83 RAB9A (0.61) ABL1ALDH1A1RAB9AMAPTNPC1
Bromide SCHEMBL8355363 0.83 RAB9A (0.57) ABL1ALDH1A1RAB9AMAPTNPC1
SCHEMBL27916623 0.81 ALDH1A1 (0.48) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL2762257 0.80 MPL (0.63) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL16346609 0.80 RAB9A (0.57) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL4704845 0.80 LTA4H (0.59) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL25735525 0.79 ALDH1A1 (0.57) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL5328182 0.78 RAB9A (0.71) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2

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 23 patents — showing the first 20. 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-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-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
EP-2354137-A1 Urea derivatives, methods for their manufacture, and uses thereof Galapagos SAS (FR) 2011-08-10 EP disclosed
US-7951814-B2 Quinazolinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2011-05-31 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
WO-2010004390-A1 QUINAZOLINE DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-01-14 WO disclosed
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-12-31 US disclosed
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-12-31 US disclosed
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-12-31 US disclosed
WO-2009118596-A2 PHTHALIMIDE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S. A. (CH) 2009-10-01 WO disclosed
WO-2009118596-A2 PHTHALIMIDE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S. A. (CH) 2009-10-01 WO 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 (3 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 ABL1 4289/4885XIAP 2255/4885ALDH1A1 375/4885
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPC3 ABL1 3776/4885XIAP 2446/4885ALDH1A1 871/4885
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof UGP2, UTS2R, UMPS ABL1 2960/4885XIAP 3650/4885ALDH1A1 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.