SCHEMBL509923

SCHEMBL509923

Cc1ccc(C(C#N)C(=O)O)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
GRM1 Q13255 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP1A2 P05177 1/20 0.39
SRC P12931 1/20 0.37
CACNA2D1 P54289 3/20 0.36
CACNA1B Q00975 3/20 0.36
CACNB1 Q02641 3/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1C Q13936 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
TP53 P04637 1/20 0.35
TRPA1 O75762 1/20 0.35
LMNA P02545 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 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
SCHEMBL3201307 0.86 KMT2A (0.36) MEN1KMT2AGRM1TDP1CYP1A2
SCHEMBL8319291 0.85 KMT2A (0.35) MEN1KMT2AGRM1TDP1CYP1A2
SCHEMBL8319298 0.85 KMT2A (0.35) MEN1KMT2AGRM1TDP1CYP1A2
SCHEMBL509947 0.83 MEN1 (0.39) MEN1KMT2AGRM1TDP1CYP1A2
SCHEMBL509691 0.82 SRC (0.43) MEN1KMT2ATDP1SRCTRPA1
SCHEMBL6829398 0.82 SMN1; SMN2 (0.40) MEN1KMT2ACYP1A2LMNAMAPK1
SCHEMBL31043345 0.79 MEN1 (0.43) MEN1KMT2AESR1LMNATSHR
SCHEMBL6935251 0.79 MEN1 (0.43) MEN1KMT2AESR1LMNATSHR
SCHEMBL4554198 0.79 TSHR (0.47) TDP1LMNATSHRALDH1A1
SCHEMBL6612295 0.79 ALDH1A1 (0.47) MEN1KMT2ATDP1CYP1A2LMNA

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
US-8507410-B2 Pyridazinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-13 US disclosed
US-8470738-B2 Pyridazinone compound and herbicide containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-25 US disclosed
US-20120028803-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
EP-2188264-B1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME SUMITOMO CHEMICAL CO (JP) 2011-03-23 EP disclosed
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-6746990-B2 INSECTICIDES, ACARICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2004-06-08 US disclosed
US-20030045432-A1 Phenyl-substituted cyclic ketoenols FISCHER REINER (DE) 2003-03-06 US disclosed
US-6358887-B1 PREEMERGENCE, POSTEMERGENCE HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-03-19 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 (3 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-20120028803-A1 PYRIDAZINONE COMPOUND AND USE THEREOF C5, C1S, WEE1 MEN1 806/4885KMT2A 4005/4885GRM1 1320/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 MEN1 2158/4885KMT2A 1764/4885GRM1 69/4885
US-20030045432-A1 Phenyl-substituted cyclic ketoenols CYP19A1, DDT, CYP8B1 MEN1 4561/4885KMT2A 702/4885GRM1 1197/4885

“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.