SCHEMBL10132038

SCHEMBL10132038

CCOC(=O)Cc1ncc(Cl)cc1F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
DPP4 P27487 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 1/20 0.39
MAOB P27338 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.38
AGBL2 Q5U5Z8 1/20 0.38

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
SCHEMBL10132016 0.85 DPP4 (0.44) DPP4SMN1; SMN2L3MBTL1MAPTRAB9A
SCHEMBL10132043 0.85 AGBL2 (0.50) DPP4SMN1; SMN2L3MBTL1MAPTMAOB
SCHEMBL27462821 0.84 DPP4 (0.43) DPP4SMN1; SMN2MAOBALDH1A1KDM4E
SCHEMBL15897838 0.82 DPP4 (0.42) DPP4SMN1; SMN2L3MBTL1HSD17B10MAOB
SCHEMBL16050342 0.82 SMN1; SMN2 (0.48) DPP4SMN1; SMN2L3MBTL1MAPTRAB9A
SCHEMBL10514399 0.81 HSP90AA1 (0.44) DPP4SMN1; SMN2HSD17B10RAB9AALDH1A1
SCHEMBL10515506 0.81 DPP4 (0.41) DPP4SMN1; SMN2L3MBTL1MAPTRAB9A
SCHEMBL9753881 0.78 MAPT (0.40) DPP4SMN1; SMN2L3MBTL1MAPTRAB9A
SCHEMBL30349490 0.78 AGBL2 (0.51) S1PR1S1PR3L3MBTL1AGBL2
SCHEMBL4528011 0.78 AGBL2 (0.51) S1PR1S1PR3L3MBTL1AGBL2

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-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-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
CN-101326176-A Pyridazine compound and use thereof SUMITOMO CHEMICAL CO (JP) 2008-12-17 CN 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 S1PR1 1337/4885S1PR3 1731/4885DPP4 1169/4885
US-20090275589-A1 Pyridazine Compound and Use Thereof PLPBP, PNPO, PDXK S1PR1 1337/4885S1PR3 1731/4885DPP4 1169/4885

“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.