SCHEMBL14814907

SCHEMBL14814907

Cc1nc(CSc2nnc3scc(-c4ccccc4)n23)cs1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.80
▸ ALOX15 P16050 1/20 0.62
▸ TSHR P16473 5/20 0.54
▸ HTT P42858 3/20 0.54
▸ HPGD P15428 2/20 0.54
▸ MAPT P10636 4/20 0.52
▸ IDO1 P14902 2/20 0.51
▸ BRD4 O60885 1/20 0.50
▸ LMNA P02545 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ HCRTR1 O43613 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ GAPDH P04406 1/20 0.49
▸ PTPN7 P35236 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ CTDSP1 Q9GZU7 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
SCHEMBL14814918 0.91 ALDH1A1 (0.83) ALDH1A1ALOX15TSHRHTTHPGD
SCHEMBL14814506 0.89 ALDH1A1 (1.00) ALDH1A1ALOX15TSHRHTTMAPT
SCHEMBL14829713 0.84 TSHR (0.79) ALDH1A1ALOX15TSHRHTTHPGD
SCHEMBL14839375 0.81 ALDH1A1 (0.65) ALDH1A1ALOX15TSHRHTTHPGD
SCHEMBL14815055 0.76 ALOX15 (1.00) ALDH1A1ALOX15TSHRHTTHPGD
SCHEMBL14814903 0.76 ALDH1A1 (0.65) ALDH1A1ALOX15TSHRHTTHPGD
SCHEMBL14814525 0.76 ALDH1A1 (0.65) ALDH1A1ALOX15TSHRHTTHPGD
SCHEMBL14814560 0.76 ALDH1A1 (0.61) ALDH1A1ALOX15TSHRHTTHPGD
SCHEMBL14814790 0.76 BRD4 (0.60) ALDH1A1ALOX15TSHRHTTHPGD
SCHEMBL14815063 0.75 TSHR (0.57) ALDH1A1ALOX15TSHRHTTHPGD

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
US-20130085157-A1 ARYLSUBSTITUTED THIAZOLOTRIAZOLES AND THIAZOLOIMIDAZOLES SMITH EMILIE D (US) 2013-04-04 — — US claimed
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 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 ALDH1A1 4145/4885ALOX15 2918/4885TSHR 3/4885

“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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