SCHEMBL2346830

SCHEMBL2346830

COc1cc(F)c[c]c1Cl

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 2/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 2/20 0.32
NFE2L2 Q16236 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK10 P53779 1/20 0.31
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
MAOB P27338 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
SCHEMBL2349873 0.80 TRPV4 (0.38) CYP3A4MAPTNPC1GAASMN1; SMN2
SCHEMBL2349793 0.78 NFE2L2 (0.33) CYP3A4MAPTNFE2L2
SCHEMBL2235124 0.77 CA12 (0.41) CYP3A4MAPTNPC1GAASMN1; SMN2
SCHEMBL5658885 0.75 MAPT (0.35) CYP3A4MAPTKDM4ENFE2L2ALDH1A1
SCHEMBL28618317 0.72 CYP3A4 (0.30) CYP3A4MAPT
SCHEMBL2341584 0.71
SCHEMBL2342052 0.71
SCHEMBL17514565 0.71 ABL1 (0.39) CYP3A4MAPTGAAALDH1A1
SCHEMBL27764030 0.71 HTR2A (0.39) NPC1GAAKDM4EALDH1A1
SCHEMBL976785 0.70

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
CN-101115723-B Pyrazole carboxylic acid anilides, method for the production thereof and agents containing them for controlling pathogenic fungi BASF AG (DE) 2012-02-22 CN disclosed
US-8008232-B2 Such as N-(3',4'-dichlorobiphenyl-2-yl)-5-chloro-1,3-dimethyl-1H-pyrazole-4-carboxamide; seeds BASF AKTIENGESELLSCHAFT (DE) 2011-08-30 US disclosed
US-20080153707-A1 Pyrazolecarboxanilides, Process for Their Preparation and Compositions Comprising Them for Controlling Harmful Fungi BASF AKITENGESELLSCHAFT (DE) 2008-06-26 US disclosed
CN-101115723-A Pyrazole carboxylic acid anilides, method for the production thereof and agents containing them for controlling pathogenic fungi BASF AG (DE) 2008-01-30 CN 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-20080153707-A1 Pyrazolecarboxanilides, Process for Their Preparation and Compositions Comprising Them for Controlling Harmful Fungi CBR3, C1S, PYM1 CYP3A4 97/4885MAPT 4417/4885NPC1 1969/4885

“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.