SCHEMBL6134322

SCHEMBL6134322

CCOC(=O)c1nc(-c2ccccc2)c(-c2ccc(=O)n(C)n2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 2/20 0.46
HTT P42858 2/20 0.45
MAPT P10636 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 4/20 0.44
CYP2C9 P11712 4/20 0.44
CYP2C19 P33261 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.44
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43

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
SCHEMBL6133474 0.89 HTT (0.50) PTGS2ALDH1A1HSD17B10HTTTP53
SCHEMBL6133966 0.88 HTT (0.52) PTGS2ALDH1A1HSD17B10HTTCYP1A2
SCHEMBL6133924 0.87 PTGS2 (0.44) PTGS2ALDH1A1HSD17B10HTTMAPT
SCHEMBL6133469 0.86 HTT (0.47) PTGS2ALDH1A1HSD17B10HTTTP53
SCHEMBL6133344 0.86 SMN1; SMN2 (0.55) PTGS2HSD17B10HTTMAPTCYP1A2
SCHEMBL6133255 0.84 HTT (0.47) PTGS2ALDH1A1HSD17B10HTTCYP1A2
SCHEMBL6133994 0.83 ALDH1A1 (0.46) PTGS2ALDH1A1HTTMAPTNPC1
SCHEMBL6133513 0.82 ALDH1A1 (0.46) ALDH1A1HSD17B10HTTMAPTTP53
SCHEMBL6133470 0.82 ALDH1A1 (0.47) ALDH1A1HSD17B10HTTMAPTADORA3
SCHEMBL6133301 0.80 ALDH1A1 (0.49) PTGS2ALDH1A1HSD17B10CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004134-A1 Thiazole derivative and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2005-01-06 US disclosed
EP-1441732-A2 THIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
WO-2003039451-A2 THIAZOLE PYRIDAZINONES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 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-20050004134-A1 Thiazole derivative and pharmaceutical use thereof MC2R, CYP2C9, OXTR PTGS2 1262/4885ALDH1A1 630/4885HSD17B10 391/4885

“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.