SCHEMBL9340602

SCHEMBL9340602

O=Cc1cc(Cl)c(C(F)(F)F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
TDP1 Q9NUW8 1/20 0.35
KDR P35968 1/20 0.35
ERN1 O75460 6/20 0.33
NOTUM Q6P988 1/20 0.33
PDK1 Q15118 1/20 0.32
IDO1 P14902 2/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
NPFFR1 Q9GZQ6 1/20 0.31
NPFFR2 Q9Y5X5 1/20 0.31
HTR2C P28335 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
SCHEMBL9242468 0.85 KIF11 (0.39) KIF11TDP1KDRERN1
SCHEMBL7272536 0.84 TDP1 (0.42) KIF11TDP1KDRERN1NOTUM
SCHEMBL12725572 0.84 KIF11 (0.47) KIF11ERN1
SCHEMBL9342742 0.80 TDP1 (0.42) KIF11TDP1KDRERN1NOTUM
SCHEMBL679217 0.79 ERN1 (0.44) TDP1KDRERN1PDK1HTR3E
SCHEMBL1808858 0.79 TDP1 (0.48) TDP1ERN1
SCHEMBL1965867 0.79 TDP1 (0.43) TDP1ERN1
SCHEMBL677944 0.78 KIF11 (0.40) KIF11TDP1KDRERN1
SCHEMBL9340536 0.78 KIF11 (0.46) KIF11ERN1
SCHEMBL3620779 0.78 TDP1 (0.39) KIF11TDP1KDRERN1PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0396987-B1 Nuclear fluorinated trifluoromethylbenzaldehydes BAYER AG (DE) 1994-06-15 EP claimed
EP-0396987-A2 Nuclear fluorinated trifluoromethylbenzaldehydes BAYER AG (DE) 1990-11-14 EP claimed
EP-3006443-B1 BENZOTHIOPHENE COMPOUND ASTELLAS PHARMA INC (JP) 2018-04-25 EP disclosed
US-9399038-B2 Benzothiophene compound ASTELLAS PHARMA INC. (JP) 2016-07-26 US disclosed
US-9399038-B2 Benzothiophene compound ASTELLAS PHARMA INC. (JP) 2016-07-26 US disclosed
US-9399038-B2 Benzothiophene compound ASTELLAS PHARMA INC. (JP) 2016-07-26 US disclosed
EP-3006443-A1 BENZOTHIOPHENE COMPOUND Astellas Pharma Inc. (JP) 2016-04-13 EP disclosed
US-20150133433-A1 BENZOTHIOPHENE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-05-14 US disclosed
US-20150133433-A1 BENZOTHIOPHENE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-05-14 US disclosed
US-20150133433-A1 BENZOTHIOPHENE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-05-14 US disclosed
US-8981119-B2 Benzothiophene compound ASTELLAS PHARMA INC. (JP) 2015-03-17 US disclosed
US-8981119-B2 Benzothiophene compound ASTELLAS PHARMA INC. (JP) 2015-03-17 US disclosed
US-8981119-B2 Benzothiophene compound ASTELLAS PHARMA INC. (JP) 2015-03-17 US disclosed
US-20140364421-A1 BENZOTHIOPHENE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-11 US disclosed
US-20140364421-A1 BENZOTHIOPHENE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-11 US disclosed
US-20140364421-A1 BENZOTHIOPHENE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-11 US disclosed
EP-0396987-B1 Nuclear fluorinated trifluoromethylbenzaldehydes BAYER AG (DE) 1994-06-15 EP disclosed
US-5041683-A Nuclear-fluorinated trifluoromethylbenzaldehydes BAYER AKTIENGESELLSCHAFT (DE) 1991-08-20 US disclosed
EP-0396987-A2 Nuclear fluorinated trifluoromethylbenzaldehydes BAYER AG (DE) 1990-11-14 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 (2 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-20150133433-A1 BENZOTHIOPHENE COMPOUND TRPA1, TRPV1, TRPV3 KIF11 3944/4885TDP1 1234/4885KDR 3828/4885
US-20140364421-A1 BENZOTHIOPHENE COMPOUND TRPA1, TRPV1, TRPV4 KIF11 3148/4885TDP1 653/4885KDR 3662/4885

“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.