SCHEMBL9528452

SCHEMBL9528452

Cc1[c]c(C)c([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.47
CYP3A4 P08684 2/20 0.47
TDP1 Q9NUW8 5/20 0.45
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.38
GPR35 Q9HC97 1/20 0.38
ACHE P22303 2/20 0.37
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
BCHE P06276 1/20 0.36
CES1 P23141 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5478812 0.81 TSHR (0.45) TSHRCYP3A4TDP1HSD17B10SMN1; SMN2
SCHEMBL9806470 0.72 CYP1A2 (0.46) TSHRCYP3A4TDP1HSD17B10SMN1; SMN2
SCHEMBL9719281 0.71 TDP1 (0.71) TSHRCYP3A4TDP1HSD17B10SMN1; SMN2
SCHEMBL30503599 0.71 TDP1 (0.71) TSHRCYP3A4TDP1HSD17B10SMN1; SMN2
SCHEMBL457459 0.70 TSHR (0.42) TSHRCYP3A4TDP1HSD17B10SMN1; SMN2
SCHEMBL8374 0.68 TDP1 (0.54) TSHRCYP3A4TDP1HSD17B10SMN1; SMN2
SCHEMBL28113405 0.67 TSHR (0.42) TSHRCYP3A4TDP1ALDH1A1GPR35
SCHEMBL7355587 0.67 TDP1 (0.58) TSHRCYP3A4TDP1HSD17B10SMN1; SMN2
SCHEMBL557939 0.67 TSHR (0.72) TSHRCYP3A4TDP1HSD17B10SMN1; SMN2
SCHEMBL261451 0.65 TDP1 (0.45) TSHRCYP3A4TDP1HSD17B10SMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 EP disclosed
EP-2614053-B1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL CO (JP) 2016-03-23 EP disclosed
US-9040709-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-26 US disclosed
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-25 US disclosed
US-8884010-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-11-11 US disclosed
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 US disclosed
EP-0320733-B1 2-TERT.-BUTYL-5-ISOXAZOLYL METHYLTHIO-3(2H)-PYRIDAZIN-3-ONE DERIVATIVES BASF Aktiengesellschaft (DE) 1993-03-03 EP disclosed
US-4929617-A INSECTICIDES, MITICIDES BASF AKTIENGESELLSCHAFT (DE) 1990-05-29 US disclosed
EP-0351589-A2 3(2H)-Pyridazinone derivatives for controlling snails BASF Aktiengesellschaft (DE) 1990-01-24 EP disclosed
EP-0320733-A2 2-tert.-butyl-5-isoxazolyl methylthio-3(2H)-pyridazin-3-one derivatives BASF Aktiengesellschaft (DE) 1989-06-21 EP 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-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 TSHR 2629/4885CYP3A4 26/4885TDP1 3473/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 TSHR 2629/4885CYP3A4 26/4885TDP1 3473/4885

“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.