SCHEMBL895488

SCHEMBL895488

CCOC(=O)C(C(=O)OCC)c1ncccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TRPM8 Q7Z2W7 9/20 0.43
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
EPHX2 P34913 1/20 0.39
PPARG P37231 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
DHODH Q02127 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL5440655 0.93 MEN1 (0.41) ALDH1A1TRPM8POLBMEN1KMT2A
SCHEMBL4695895 0.88 ALDH1A1 (0.56) ALDH1A1TRPM8GAA
SCHEMBL17653956 0.81 MEN1 (0.40) ALDH1A1POLBMEN1KMT2AGAA
SCHEMBL896383 0.81 ALDH1A1 (0.50) ALDH1A1TRPM8POLBMEN1KMT2A
SCHEMBL4924785 0.80 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL896714 0.78 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL18137682 0.77 BRD4 (0.56) ALDH1A1SMN1; SMN2NPC1KDM4EHPGD
SCHEMBL931530 0.77 ALDH1A1 (0.49) ALDH1A1POLBMEN1KMT2AGAA
SCHEMBL896615 0.75 AKR1C3 (0.46) TRPM8DHODHHDAC6
SCHEMBL27746412 0.75 SSTR4 (0.42) EPHX2PPARGKDM4E

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 9 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
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 ALDH1A1 3397/4885TRPM8 2630/4885POLB 3361/4885
US-20090275589-A1 Pyridazine Compound and Use Thereof PLPBP, PNPO, PDXK ALDH1A1 3397/4885TRPM8 2630/4885POLB 3361/4885

“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.