SCHEMBL473476

SCHEMBL473476

CC(C)COc1ccc(-c2csc(N)n2)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.53
NPC1 O15118 6/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
ALDH1A1 P00352 6/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 2/20 0.53
XDH P47989 6/20 0.51
MAPT P10636 6/20 0.50
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.46
HPGD P15428 1/20 0.46
HK1 P19367 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
POLB P06746 2/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
MAPK1 P28482 1/20 0.46
LTA4H P09960 2/20 0.45
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL474433 0.83 RAB9A (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL3147991 0.81 MAPT (0.74) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL474224 0.81 MPL (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL474727 0.77 RAB9A (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL16345828 0.73 RAB9A (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL27898751 0.73 ALDH1A1 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL474234 0.72 ALDH1A1 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL473573 0.72 TRPA1 (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL7329654 0.70 ALDH1A1 (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL10315917 0.70 LTA4H (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411395-B1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2013-05-29 EP disclosed
US-20120178766-A1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-07-12 US disclosed
EP-2411395-A1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2012-02-01 EP disclosed
WO-2010109329-A1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 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 (1 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-20120178766-A1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS TRPA1, TRPV1, TRPC3 RAB9A 2462/4885NPC1 1001/4885SMN1; SMN2 4443/4885

“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.