SCHEMBL6134790

SCHEMBL6134790

CONC(=O)c1nc(-c2ccc(F)cc2)c(-c2ccc(=O)n(C(C)C)n2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.41
TGFBR2 P37173 2/20 0.41
HDAC6 Q9UBN7 1/20 0.39
PTGS2 P35354 2/20 0.38
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
PHGDH O43175 1/20 0.37
RET P07949 1/20 0.37
ALDH1A1 P00352 4/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 2/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC3 O15379 1/20 0.35
KCNH2 Q12809 1/20 0.35
HDAC2 Q92769 1/20 0.35
GABRA5 P31644 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL6133040 0.91 GABRA5 (0.40) TGFBR1TGFBR2HDAC6PTGS2ADORA2A
SCHEMBL6133930 0.89 RET (0.42) TGFBR1TGFBR2HDAC6PTGS2ADORA2A
SCHEMBL6133744 0.87 HDAC6 (0.38) TGFBR1TGFBR2HDAC6PTGS2ADORA2A
SCHEMBL6133269 0.85 HPGD (0.42) TGFBR1HDAC6ALDH1A1KDM4EGABRA5
SCHEMBL6133569 0.85 HDAC6 (0.45) HDAC6PTGS2ADORA2AADORA1ALDH1A1
SCHEMBL6133158 0.84 PTGS2 (0.56) TGFBR1PTGS2ALDH1A1PKMKDM4E
SCHEMBL6923908 0.83 HDAC6 (0.35) TGFBR1TGFBR2HDAC6PTGS2ADORA2A
SCHEMBL6133196 0.82 L3MBTL1 (0.40) HDAC6ALDH1A1KDM4EHSD17B10KCNH2
SCHEMBL6134033 0.82 TGFBR1 (0.48) TGFBR1TGFBR2ADORA2AADORA1RET
SCHEMBL6133345 0.81 SMN1; SMN2 (0.49) ADORA2AADORA1ALDH1A1KDM4EHSD17B10

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 TGFBR1 966/4885TGFBR2 903/4885HDAC6 222/4885

“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.