SCHEMBL4596068

SCHEMBL4596068

COc1cc(C)c(C(O)c2c(C(F)(F)F)ccnc2Cl)cc1OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.36
CTSL P07711 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MRGPRX4 Q96LA9 4/20 0.36
KMT2A Q03164 1/20 0.36
S1PR1 P21453 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SRD5A1 P18405 2/20 0.35
SRD5A2 P31213 2/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
SMPD1 P17405 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL4595412 0.78 NPC1 (0.41) CTSVCTSLMRGPRX4NPC1HPGD
SCHEMBL20562834 0.73 CHRNA7 (0.46) CTSVCTSLTDP1KMT2ANPC1
SCHEMBL8548569 0.71 ACP3 (0.36) TDP1
SCHEMBL17833744 0.71 CHRNA7 (0.47) CTSVCTSLTDP1KMT2ANPC1
SCHEMBL8324406 0.69 KMO (0.33) KMT2ANPC1
SCHEMBL7369416 0.69 SCD (0.52) CTSVCTSLMRGPRX4KMT2ANPC1
SCHEMBL9027404 0.69 P2RX7 (0.31)
SCHEMBL2462343 0.67 KMT2A (0.53) KMT2ANPC1HPGDRAB9ASMN1; SMN2
SCHEMBL8035471 0.67 CTSV (0.54) CTSVCTSLMRGPRX4NPC1HPGD
SCHEMBL17833747 0.66 CHRNA7 (0.46) CTSVCTSLKMT2ANPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296952-B9 BENZOYLPYRIDINE DERIVATIVE OR ITS SALT, FUNGICIDE CONTAINING IT AS AN ACTIVE INGREDIENT, ITS PRODUCTION PROCESS AND INTERMEDIATE FOR PRODUCING IT ISHIHARA SANGYO KAISHA (JP) 2008-01-09 EP disclosed
EP-1296952-B1 BENZOYLPYRIDINE DERIVATIVE OR ITS SALT, FUNGICIDE CONTAINING IT AS AN ACTIVE INGREDIENT, ITS PRODUCTION PROCESS AND INTERMEDIATE FOR PRODUCING IT ISHIHARA SANGYO KAISHA (JP) 2007-09-12 EP disclosed
US-6770662-B2 PLANT DISEASES; POWDERY MILDEW OF BARLEY, VEGETABLES, FRUITS AND FLOWERING PLANTS ISHIHARA SANGYO KAISHA, LTD. (JP) 2004-08-03 US disclosed
US-20030216444-A1 Benzoylpyridine derivative or its salt, fungicide containing it as an active ingredient, its production process and intermediate for producing it ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-11-20 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-20030216444-A1 Benzoylpyridine derivative or its salt, fungicide containing it as an active ingredient, its production process and intermediate for producing it CBR1, KCNH1, CBR3 CTSV 4369/4885CTSL 2985/4885TDP1 1628/4885

“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.