SCHEMBL2345893

SCHEMBL2345893

COc1c(Cl)[c]ccc1F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL159595 0.78 ALDH1A1 (0.39) MGAMGAASIMGAM2KDM4E
SCHEMBL1491066 0.78 KDM4E (0.32) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL5325880 0.77 KDM4E (0.31) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL315476 0.77 MAPT (0.33) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL8012068 0.77 KDM4E (0.31) MGAMGAASIMGAM2KDM4E
SCHEMBL27849022 0.75 CA2 (0.34) MGAMGAASIMGAM2KDM4E
SCHEMBL1299017 0.75 MGAM (0.37) MGAMGAASIMGAM2KDM4E
SCHEMBL16974713 0.75 ALDH1A1 (0.33) MGAMGAASIMGAM2KDM4E
SCHEMBL2347090 0.71
SCHEMBL719277 0.71 ALDH1A1 (0.37) TAS1R3TAS1R1TAS1R2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080088-B1 ALKYLPYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2019-07-31 EP claimed
EP-3080088-B1 ALKYLPYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2019-07-31 EP disclosed
US-9815791-B2 Alkylpyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-11-14 US disclosed
US-20160304465-A1 ALKYLPYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2016-10-20 US 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 (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-20080153707-A1 Pyrazolecarboxanilides, Process for Their Preparation and Compositions Comprising Them for Controlling Harmful Fungi CBR3, C1S, PYM1 PTGS2 3961/4885TAS1R3 2128/4885TAS1R1 3036/4885
US-20160304465-A1 ALKYLPYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5F1D, ATP5ME PTGS2 872/4885TAS1R3 4161/4885TAS1R1 3893/4885

“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.