SCHEMBL10131971

SCHEMBL10131971

CC(=NN)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.58
CES1 P23141 3/20 0.58
LMNA P02545 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA4 P22748 1/20 0.42
CA9 Q16790 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL10131977 1.00 CES2 (0.58) CES2CES1LMNACYP1A2CYP2C9
SCHEMBL6704201 0.82 CES2 (0.60) CES2CES1LMNACYP1A2CYP2C9
SCHEMBL6704195 0.82 CES2 (0.60) CES2CES1LMNACYP1A2CYP2C9
SCHEMBL10814548 0.82 CES2 (0.60) CES2CES1LMNACYP1A2CYP2C9
SCHEMBL13069013 0.79 CES2 (0.58) CES2CES1LMNACYP1A2CYP2C19
SCHEMBL7808024 0.79 CES2 (0.58) CES2CES1LMNACYP1A2CYP2C19
SCHEMBL7808020 0.79 CES2 (0.58) CES2CES1LMNACYP1A2CYP2C19
SCHEMBL11097665 0.78 CES2 (0.60) CES2CES1LMNACYP1A2CYP2C9
SCHEMBL767177 0.76 CES2 (0.71) CES2CES1LMNACYP1A2CYP2C9
SCHEMBL273857 0.75 CES2 (1.00) CES2CES1LMNAALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258136-B2 Pyridazine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-04 US disclosed
US-8258136-B2 Pyridazine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-04 US disclosed
US-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-04-05 US disclosed
US-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-04-05 US disclosed
EP-1958948-B1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-10-05 EP disclosed
US-8022073-B2 Substituted pyridazine compounds and fungicidal uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-20 US disclosed
US-8022073-B2 Substituted pyridazine compounds and fungicidal uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-20 US disclosed
EP-1958946-B1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-02-23 EP disclosed
US-20090275589-A1 Pyridazine Compound and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-05 US disclosed
US-20090275589-A1 Pyridazine Compound and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-05 US disclosed
US-20090156608-A1 Pyridazine Compound and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-18 US disclosed
US-20090156608-A1 Pyridazine Compound and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-18 US disclosed
EP-1958946-A1 PYRIDAZINE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-08-20 EP disclosed
EP-1958948-A1 PYRIDAZINE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-08-20 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 (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-20090156608-A1 Pyridazine Compound and Use Thereof PLPBP, PNPO, PDXK CES2 3968/4885CES1 4406/4885LMNA 2869/4885
US-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF PLPBP, PNPO, PDXK CES2 3968/4885CES1 4406/4885LMNA 2869/4885
US-20090275589-A1 Pyridazine Compound and Use Thereof PLPBP, PNPO, PDXK CES2 3968/4885CES1 4406/4885LMNA 2869/4885

“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.