SCHEMBL10132043

SCHEMBL10132043

CCOC(=O)Cc1ncc(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.50
DPP4 P27487 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 1/20 0.43
MAOB P27338 2/20 0.42
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CXCR1 P25024 1/20 0.36
CXCR2 P25025 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL27462821 0.86 DPP4 (0.43) AGBL2DPP4SMN1; SMN2ALDH1A1MAOB
SCHEMBL31042960 0.85 AGBL2 (0.48) AGBL2DPP4SMN1; SMN2ALDH1A1MAOB
SCHEMBL17548192 0.85 SMN1; SMN2 (0.48) AGBL2DPP4SMN1; SMN2ALDH1A1MAOB
SCHEMBL10132038 0.85 S1PR1 (0.42) AGBL2DPP4SMN1; SMN2ALDH1A1MAOB
SCHEMBL15897838 0.85 DPP4 (0.42) AGBL2DPP4SMN1; SMN2ALDH1A1MAOB
SCHEMBL21801325 0.84 AGBL2 (0.49) AGBL2SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL25366158 0.84 AGBL2 (0.50) AGBL2DPP4SMN1; SMN2ALDH1A1MAOB
SCHEMBL17548191 0.80 AGBL2 (0.43) AGBL2DPP4SMN1; SMN2ALDH1A1MAOB
SCHEMBL29329085 0.78 AGBL2 (0.53) AGBL2MAOBKDM4E
SCHEMBL12298619 0.78 SMN1; SMN2 (0.43) DPP4SMN1; SMN2ALDH1A1MAOBPOLB

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-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
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
EP-1958946-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 (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-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF PLPBP, PNPO, PDXK AGBL2 1906/4885DPP4 1169/4885SMN1; SMN2 2463/4885
US-20090275589-A1 Pyridazine Compound and Use Thereof PLPBP, PNPO, PDXK AGBL2 1906/4885DPP4 1169/4885SMN1; SMN2 2463/4885

“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.