SCHEMBL1689576

SCHEMBL1689576

Cc1ccc(-c2csc(N)n2)cc1F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.66
ALDH1A1 P00352 9/20 0.66
NPC1 O15118 7/20 0.66
SMN1; SMN2 Q16637 7/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
MAPT P10636 8/20 0.61
KDM4E B2RXH2 3/20 0.61
MPL P40238 2/20 0.59
ALOX5 P09917 1/20 0.59
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 5/20 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
SCHEMBL2762257 0.87 MPL (0.63) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL1765099 0.85 ALDH1A1 (0.58) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL7236001 0.84 ALDH1A1 (0.59) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL126685 0.84 MPL (0.69) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL25735525 0.83 ALDH1A1 (0.57) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL29085894 0.83 RAB9A (0.65) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL17407200 0.81 ALDH1A1 (0.58) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL25242184 0.80 RAB9A (0.61) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL16345828 0.80 RAB9A (0.57) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL10087446 0.80 ALDH1A1 (0.61) RAB9AALDH1A1NPC1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9562044-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2017-02-07 US disclosed
US-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2016-01-07 US disclosed
US-8575178-B2 Isothiazolo-pyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-11-05 US disclosed
US-8575178-B2 Isothiazolo-pyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-11-05 US disclosed
US-8575178-B2 Isothiazolo-pyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-11-05 US disclosed
EP-2411397-B1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2013-05-29 EP disclosed
US-20120010223-A1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-01-12 US disclosed
US-20120010223-A1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-01-12 US disclosed
US-20120010223-A1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-01-12 US 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-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF CHRM3, CHRM2, CHRM5 RAB9A 2669/4885ALDH1A1 1565/4885NPC1 4059/4885
US-20120010223-A1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS TRPA1, TRPV1, TRPC3 RAB9A 2273/4885ALDH1A1 721/4885NPC1 473/4885

“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.