SCHEMBL3729052

SCHEMBL3729052

Nc1nnc(COc2ccccc2Cl)s1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.74
MAPT P10636 2/20 0.61
ALDH1A1 P00352 3/20 0.54
RAB9A P51151 2/20 0.54
HPGD P15428 2/20 0.54
NPC1 O15118 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 3/20 0.50
MGAM O43451 1/20 0.50
GAA P10253 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
KDM4E B2RXH2 1/20 0.49
CDC7 O00311 1/20 0.49
PLK4 O00444 1/20 0.49
DYRK3 O43781 1/20 0.49
ROCK2 O75116 1/20 0.49
MAP4K4 O95819 1/20 0.49
ROS1 P08922 1/20 0.49
PRKACA P17612 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
SCHEMBL30282807 1.00 HTT (0.74) HTTMAPTALDH1A1RAB9AHPGD
SCHEMBL3731629 0.83 HTT (0.55) HTTMAPTALDH1A1RAB9AHPGD
SCHEMBL3728504 0.82 ALDH1A1 (0.56) HTTMAPTALDH1A1RAB9AHPGD
SCHEMBL3728220 0.82 ALDH1A1 (0.52) HTTMAPTALDH1A1RAB9AHPGD
SCHEMBL3727149 0.82 ALDH1A1 (0.58) HTTMAPTALDH1A1RAB9AHPGD
SCHEMBL3731106 0.82 ALDH1A1 (0.55) HTTMAPTALDH1A1RAB9AHPGD
SCHEMBL30287480 0.81 POLB (0.74) HTTMAPTALDH1A1RAB9AHPGD
SCHEMBL3736372 0.81 MAPT (0.61) HTTMAPTALDH1A1RAB9AHPGD
SCHEMBL3729107 0.81 MAPT (0.78) HTTMAPTALDH1A1RAB9AHPGD
SCHEMBL3725459 0.81 POLB (0.74) HTTMAPTALDH1A1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118055930-A Thiadiazole derivative, composition and application thereof 北京丹擎医药科技有限公司 2024-05-17 CN disclosed
WO-2023061415-A1 THIADIAZOLYL DERIVATIVES, COMPOSITIONS AND USES THEREOF DANATLAS PHARMACEUTICALS CO., LTD. (CN) 2023-04-20 WO disclosed
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 US disclosed
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 US disclosed
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 US disclosed
EP-2125799-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE Smithkline Beecham Corporation (US) 2009-12-02 EP disclosed
WO-2009056556-A1 SUBSTITUTE 1, 6-NAPHTHYRIDINES FOR USE AS SCD INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-07 WO disclosed
WO-2009056556-A1 SUBSTITUTE 1, 6-NAPHTHYRIDINES FOR USE AS SCD INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-07 WO disclosed
WO-2008104524-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SMITHKLINE BEECHAM CORPORATION (US) 2008-09-04 WO disclosed
WO-2008104524-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SMITHKLINE BEECHAM CORPORATION (US) 2008-09-04 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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 HTT 3634/4885MAPT 2890/4885ALDH1A1 458/4885

“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.