SCHEMBL17407879

SCHEMBL17407879

COC(=O)c1cccc(-c2cc(C(F)(F)F)ccc2N)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 5/20 0.58
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ PTGS1 P23219 1/20 0.41
▸ PDK2 Q15119 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ RORB Q92753 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PTPN1 P18031 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RXFP1 Q9HBX9 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
SCHEMBL16067897 0.85 CFTR (0.48) CFTRMRGPRX4ALDH1A1PDK2KDM4E
SCHEMBL16067895 0.79 SMN1; SMN2 (0.51) CFTRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL1139411 0.77 CFTR (0.77) CFTRMRGPRX4ALDH1A1HSD17B10PTGS1
SCHEMBL1451351 0.74 CFTR (1.00) CFTRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL30660552 0.74 CFTR (1.00) CFTRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL17407880 0.74 L3MBTL1 (0.45) ALDH1A1HSD17B10PDK2KDM4EMAPT
SCHEMBL6141454 0.72 CFTR (0.60) CFTRMRGPRX4ALDH1A1HSD17B10PTGS1
SCHEMBL1365182 0.72 CFTR (0.64) CFTRMRGPRX4ALDH1A1HSD17B10KDM4E
SCHEMBL13775820 0.72 RORB (0.48) CFTRHSD17B10PTGS1MAPTLMNA
SCHEMBL177123 0.72 ALDH1A1 (0.67) CFTRALDH1A1HSD17B10KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2975030-B1 DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2020-07-15 — — EP disclosed
US-9499553-B2 Dihydropyridazine-3,5-dione derivative and pharmaceuticals containing the same CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-22 — — US disclosed
US-9499553-B2 Dihydropyridazine-3,5-dione derivative and pharmaceuticals containing the same CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-22 — — US disclosed
US-20160002251-A1 DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE AND PHARMACEUTICALS CONTAINING THE SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-07 — — US disclosed
US-20160002251-A1 DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE AND PHARMACEUTICALS CONTAINING THE SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-07 — — US 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 (1 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-20160002251-A1 DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE AND PHARMACEUTICALS CONTAINING THE SAME SLC9A5, SLC5A2, SLC5A1 CFTR 2254/4885MRGPRX4 2829/4885ALDH1A1 2320/4885

“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.

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