SCHEMBL7368730

SCHEMBL7368730

Nc1nc(-c2ccc3c(c2)CCO3)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 1.00
SMN1; SMN2 Q16637 9/20 1.00
MAPT P10636 8/20 1.00
NPC1 O15118 10/20 0.69
ALDH1A1 P00352 10/20 0.69
TP53 P04637 2/20 0.69
DYRK1A Q13627 2/20 0.62
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
HPGD P15428 2/20 0.60
HSD17B10 Q99714 2/20 0.60
ALOX15 P16050 1/20 0.60
PLA2G10 O15496 1/20 0.52
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
KDM4E B2RXH2 2/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
AR P10275 1/20 0.49

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
SCHEMBL7238213 0.83 RAB9A (0.97) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL18114078 0.79 MAPT (0.65) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL5329732 0.77 RAB9A (0.80) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL3136087 0.77 RAB9A (0.62) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL12987199 0.76 RAB9A (0.73) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL7230888 0.75 RAB9A (1.00) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL17625953 0.73 RAB9A (0.58) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL12987788 0.73 RAB9A (0.57) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL19627009 0.72 RAB9A (0.72) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL15801276 0.72 PLA2G10 (0.64) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535597-B2 Photoreactive ligands and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-27 US disclosed
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2020-03-05 US disclosed
EP-2963036-B1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF ASTELLAS PHARMA INC (JP) 2019-08-28 EP disclosed
US-9562044-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2017-02-07 US disclosed
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-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2016-01-07 US disclosed
EP-2963036-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF Astellas Pharma Inc. (JP) 2016-01-06 EP disclosed
CN-103342703-A N-[4-(benzofuran-5-yl)thiazole-2-yl] amide as well as preparation method and application for same UNIV HUNAN 2013-10-09 CN disclosed
US-20020177594-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-11-28 US disclosed
WO-2002046129-A2 INHIBITORS OF HISTONE DEACETYLASE ABBOTT LABORATORIES (US) 2002-06-13 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 (4 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-11535597-B2 Photoreactive ligands and uses thereof CLTB, CRYAB, CRYAA RAB9A 634/4885SMN1; SMN2 4860/4885MAPT 3004/4885
US-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF CHRM3, CHRM2, CHRM5 RAB9A 2669/4885SMN1; SMN2 1804/4885MAPT 700/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 RAB9A 2823/4885SMN1; SMN2 1367/4885MAPT 1179/4885
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF CLTB, CRYAB, CRYAA RAB9A 634/4885SMN1; SMN2 4860/4885MAPT 3004/4885

“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.