SCHEMBL13720

SCHEMBL13720

O=CNc1cc(F)c(F)cc1F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.34
ALDH1A1 P00352 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
TSHR P16473 1/20 0.31
PABPC1 P11940 1/20 0.31
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL988638 0.75 ALDH1A1 (0.47) ALDH1A1MAPT
SCHEMBL1759061 0.75 MAPT (0.39) KDM5AALDH1A1CA9TSHRMAPT
SCHEMBL28233971 0.73 KIF11 (0.34) MAPTMAPK1NPSR1
SCHEMBL19774962 0.73 HDAC1 (0.32) KDM5ATSHRMAPTMAPK1NPSR1
SCHEMBL1758506 0.72 ALDH1A1 (0.54) ALDH1A1TSHRMAPT
SCHEMBL13723265 0.72 ALDH1A1 (0.33) KDM5AALDH1A1TSHRPABPC1
SCHEMBL14540950 0.72 KDM5A (0.44) KDM5AALDH1A1MAPT
SCHEMBL5434561 0.72 NPC1 (0.53) ALDH1A1CA12CA1CA2CA9
SCHEMBL14706964 0.72 ALDH1A1 (0.40) KDM5AALDH1A1NPSR1
SCHEMBL3132943 0.72 KMT2A (0.47) KDM5AALDH1A1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735425-B2 Tetrahydroisoquinoline derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-27 US disclosed
EP-2256105-B1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-12-04 EP disclosed
CN-103396379-A 5, 6-difluoro-benzothiazole and preparation method thereof UNIV SOUTH CHINA TECH 2013-11-20 CN disclosed
WO-2011047323-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 WO disclosed
US-20110034481-A1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-02-10 US disclosed
EP-2256105-A1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-01 EP 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-20110034481-A1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE DGAT1, DGAT2, DLAT KDM5A 2330/4885ALDH1A1 789/4885CA12 4306/4885

“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.