SCHEMBL1612679

SCHEMBL1612679

COCc1cc(OC)c(C(Br)C=O)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.38
TUBB1 Q9H4B7 2/20 0.35
MET P08581 1/20 0.33
PRKDC P78527 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 4/20 0.32
LDHA P00338 1/20 0.32
CA2 P00918 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTGS2 P35354 1/20 0.32
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CRHR1 P34998 1/20 0.31
KDM1A O60341 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31

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
SCHEMBL2461527 0.79 ERN1 (0.44) ERN1PRKDCLMNAALDH1A1CA2
SCHEMBL1660807 0.73 ERN1 (0.50) ERN1TUBB1METPRKDCLMNA
SCHEMBL3415066 0.73 TLR2 (0.43) ERN1LMNAMAPTALDH1A1CA2
SCHEMBL3037185 0.70 PTGS2 (0.40) ERN1TUBB1MAPTALDH1A1CA2
SCHEMBL13220721 0.69 FOS (0.34) ERN1TUBB1ALDH1A1CA2PTGS2
SCHEMBL1661740 0.69 PTGS2 (0.37) TUBB1TSHRPTGS2CRHR1
SCHEMBL14992969 0.69 SMN1; SMN2 (0.34) ERN1PRKDCLMNAALDH1A1KDM4E
SCHEMBL1661748 0.69 ALOX15 (0.38) TUBB1METMAPTLDHATSHR
SCHEMBL13347320 0.68 CA2 (0.41) TUBB1ALDH1A1CA2KDM4EPTGS2
SCHEMBL7959757 0.68 PTGS2 (0.64) TUBB1MAPTPTGS2

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-8530504-B2 Pyrazolothiazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-10 US disclosed
EP-2487178-A1 PYRAZOLOTHIAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2012-08-15 EP disclosed
US-20110086882-A1 PYRAZOLOTHIAZOLE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-14 US 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-20110086882-A1 PYRAZOLOTHIAZOLE COMPOUND CRHR1, CNR1, AGTR1 ERN1 2516/4885TUBB1 4301/4885MET 1334/4885

“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.