SCHEMBL6133383

SCHEMBL6133383

CCCCCCNc1nc(-c2ccccc2)c(-c2ccc(=O)n(C(C)C)n2)s1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
STAT1 P42224 1/20 0.43
RAB9A P51151 1/20 0.43
PTPN1 P18031 4/20 0.42
CDC25B P30305 1/20 0.42
DUSP3 P51452 1/20 0.42
SOAT1 P35610 4/20 0.41
SOAT2 O75908 2/20 0.41
PTPN2 P17706 3/20 0.40
HPGD P15428 1/20 0.40
PTGS2 P35354 4/20 0.39
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
XIAP P98170 1/20 0.37

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
Bromide SCHEMBL6134027 0.95 PTGS2 (0.40) ALDH1A1NPC1MAPTSTAT1RAB9A
SCHEMBL6133360 0.92 PTGS2 (0.42) ALDH1A1MAPTPTPN1CDC25BDUSP3
SCHEMBL6133532 0.88 PTGS2 (0.44) ALDH1A1MAPTPTGS2XIAP
SCHEMBL6136106 0.85 MAPT (0.50) ALDH1A1MAPTPTPN1PTPN2HPGD
SCHEMBL6133789 0.84 ALDH1A1 (0.48) ALDH1A1MAPTSOAT1SOAT2HPGD
SCHEMBL6133821 0.84 TGFBR1 (0.44) ALDH1A1MAPTHPGDPTGS2XIAP
SCHEMBL6133403 0.83 PTGS2 (0.47) ALDH1A1NPC1MAPTRAB9AHPGD
SCHEMBL6134205 0.82 XIAP (0.43) ALDH1A1MAPTPTGS2XIAP
Hydrochloric Acid SCHEMBL6133420 0.82 PTGS2 (0.47) ALDH1A1NPC1MAPTRAB9AHPGD
SCHEMBL6133970 0.82 PTGS2 (0.47) ALDH1A1NPC1MAPTRAB9AHPGD

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 ALDH1A1 630/4885NPC1 2391/4885MAPT 3008/4885

“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.