SCHEMBL508943

SCHEMBL508943

Cc1ccc(C(Br)C(=O)O)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.42
GRM1 Q13255 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
SRC P12931 1/20 0.40
TP53 P04637 1/20 0.39
LMNA P02545 2/20 0.38
TRPA1 O75762 1/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
CACNA2D1 P54289 2/20 0.38
CACNA1B Q00975 2/20 0.38
CACNB1 Q02641 2/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1C Q13936 1/20 0.38
TSHR P16473 1/20 0.38
CSNK2A1 P68400 1/20 0.37

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
SCHEMBL28773464 0.85 LMNA (0.43) TDP1GRM1MEN1KMT2ACYP1A2
SCHEMBL1783476 0.81 TSHR (0.49) TDP1GRM1MEN1KMT2ACYP1A2
SCHEMBL3813014 0.81 CES2 (0.42) TDP1MEN1KMT2ALMNACACNA2D1
SCHEMBL6834794 0.80 SMN1; SMN2 (0.42) TDP1MEN1KMT2ACYP1A2L3MBTL1
SCHEMBL509483 0.80 SRC (0.47) TDP1MEN1KMT2ASRCLMNA
SCHEMBL7864024 0.80 MEN1 (0.44) TDP1GRM1MEN1KMT2ACYP1A2
SCHEMBL8960143 0.78 TRPA1 (0.44) TDP1GRM1MEN1KMT2ACYP1A2
SCHEMBL8960497 0.78 TRPA1 (0.44) TDP1GRM1MEN1KMT2ACYP1A2
SCHEMBL510476 0.77 MEN1 (0.42) TDP1GRM1MEN1KMT2ACYP1A2
SCHEMBL25894342 0.77 GRM1 (0.69) TDP1GRM1MEN1KMT2ACYP1A2

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
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-4307232-A Preparation of dialkyl- and diarylphosphonoalkanoic acids and substituted acrylic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-12-22 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 (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-20120028803-A1 PYRIDAZINONE COMPOUND AND USE THEREOF C5, C1S, WEE1 TDP1 3979/4885GRM1 1320/4885MEN1 806/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 TDP1 3794/4885GRM1 69/4885MEN1 2158/4885

“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.