SCHEMBL2344974

SCHEMBL2344974

COc1cc(Cl)c[c]c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.36
ERN1 O75460 1/20 0.35
GAA P10253 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
S1PR4 O95977 1/20 0.33
HSP90AA1 P07900 1/20 0.33
G6PD P11413 1/20 0.33
S1PR1 P21453 1/20 0.33
MAPK1 P28482 1/20 0.33
OPRK1 P41145 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
MCL1 Q07820 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TLR9 Q9NR96 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL2349793 0.80 NFE2L2 (0.33) MAPTCYP3A4
SCHEMBL2164088 0.78 CA12 (0.41) ERN1MAPTMAPK1RAB9ANPC1
SCHEMBL2349873 0.77 TRPV4 (0.38) TRPV4ERN1GAAKDM4EMAPT
SCHEMBL4406700 0.77 CYP3A4 (0.45) MAPTNPC1SMN1; SMN2CYP3A4
SCHEMBL5207780 0.76 TRPV4 (0.37) TRPV4ERN1GAAKDM4EMAPT
SCHEMBL1639475 0.74 ERN1 (0.43) TRPV4ERN1GAAKDM4EMAPT
SCHEMBL27695180 0.74 TRPV4 (0.36) TRPV4ERN1GAAKDM4EMAPT
SCHEMBL4396210 0.71 KDM4E (0.39) ERN1GAAKDM4EMAPTMAPK1
SCHEMBL28131218 0.71 QDPR (0.36) HTR2AHTR2C
SCHEMBL29009367 0.70 KDM4E (0.35) KDM4EHTTALDH1A1SMN1; SMN2

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
EP-3749304-A1 GHRELIN O-ACYLTRANSFERASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-12-16 EP disclosed
WO-2019149959-A1 GHRELIN O-ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 WO disclosed
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 TRPV4 3296/4885ERN1 283/4885GAA 4672/4885

“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.