SCHEMBL14815063

SCHEMBL14815063

c1ccc(CCSc2nnc3scc(-c4ccccc4)n23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.57
▸ ALDH1A1 P00352 5/20 0.57
▸ HPGD P15428 3/20 0.57
▸ HTT P42858 3/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ MAPT P10636 5/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ IDO1 P14902 2/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ GAPDH P04406 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ PTPN7 P35236 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ CTDSP1 Q9GZU7 1/20 0.54
▸ BRD4 O60885 1/20 0.53

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
SCHEMBL14815052 0.93 IDO1 (0.62) TSHRALDH1A1HPGDHTTALOX15
SCHEMBL14814900 0.84 ALDH1A1 (0.55) TSHRALDH1A1HPGDHTTALOX15
SCHEMBL14814525 0.80 ALDH1A1 (0.65) TSHRALDH1A1HPGDHTTALOX15
SCHEMBL14814903 0.80 ALDH1A1 (0.65) TSHRALDH1A1HPGDHTTALOX15
SCHEMBL14839375 0.80 ALDH1A1 (0.65) TSHRALDH1A1HPGDHTTALOX15
SCHEMBL14814893 0.79 TSHR (0.64) TSHRALDH1A1HPGDHTTALOX15
SCHEMBL14814790 0.79 BRD4 (0.60) TSHRALDH1A1HPGDHTTALOX15
SCHEMBL14814560 0.77 ALDH1A1 (0.61) TSHRALDH1A1HPGDHTTALOX15
SCHEMBL14814991 0.77 ALDH1A1 (0.61) TSHRALDH1A1HPGDHTTALOX15
SCHEMBL14814573 0.76 ALDH1A1 (0.60) TSHRALDH1A1HPGDHTTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013049585-A1 ARYLSUBSTITUTED THIAZOLOTRIAZOLES AND THIAZOLOIMIDAZOLES HENGRUI (USA), LTD. (US) 2013-04-04 — — WO claimed
US-20130085157-A1 ARYLSUBSTITUTED THIAZOLOTRIAZOLES AND THIAZOLOIMIDAZOLES SMITH EMILIE D (US) 2013-04-04 — — US claimed
US-20130085157-A1 ARYLSUBSTITUTED THIAZOLOTRIAZOLES AND THIAZOLOIMIDAZOLES SMITH EMILIE D (US) 2013-04-04 — — US disclosed
US-20130085157-A1 ARYLSUBSTITUTED THIAZOLOTRIAZOLES AND THIAZOLOIMIDAZOLES SMITH EMILIE D (US) 2013-04-04 — — US disclosed
WO-2013049585-A1 ARYLSUBSTITUTED THIAZOLOTRIAZOLES AND THIAZOLOIMIDAZOLES HENGRUI (USA), LTD. (US) 2013-04-04 — — 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-20130085157-A1 ARYLSUBSTITUTED THIAZOLOTRIAZOLES AND THIAZOLOIMIDAZOLES TGM2, CCT5, TSHR TSHR 3/4885ALDH1A1 4145/4885HPGD 4011/4885

“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.

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