SCHEMBL1925748

SCHEMBL1925748

CC(C)Cn1nc(-c2ccccc2)cc(OS(C)(=O)=O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PTGS2 P35354 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ PSMB1 P20618 1/20 0.36
▸ PSMB5 P28074 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
Isobutane SCHEMBL27557774 0.81 PHGDH (0.42) PTGS2
SCHEMBL1924964 0.81 MEN1 (0.39) NR1H2SMN1; SMN2POLBKDM4EAURKA
SCHEMBL1924468 0.79 NR1H2 (0.41) NR1H2SMN1; SMN2POLBKDM4EAURKA
SCHEMBL27557773 0.76 PSMB1 (0.42) NR1H2SMN1; SMN2AURKAAURKBALDH1A1
SCHEMBL1927369 0.74 KDM4E (0.45) SMN1; SMN2POLBKDM4EHSD17B10HTT
SCHEMBL1924625 0.74 KDM4E (0.43) SMN1; SMN2POLBKDM4EAURKAAURKB
SCHEMBL1925329 0.73 MEN1 (0.49) SMN1; SMN2POLBKDM4EHSD17B10HTT
SCHEMBL1925584 0.72 PDE5A (0.40) SMN1; SMN2KDM4EAURKAAURKBHSD17B10
SCHEMBL1925804 0.72 DHODH (0.44) KDM4EHSD17B10HTT
SCHEMBL6886068 0.72 KDM4E (0.41) SMN1; SMN2KDM4EAURKAAURKBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1431293-B1 WATER-SOLUBLE PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2011-06-08 — — EP disclosed
CN-1304379-C Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO (JP) 2007-03-14 — — CN disclosed
US-7087606-B2 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2006-08-08 — — US disclosed
US-20050085480-A1 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2005-04-21 — — US disclosed
US-6869954-B2 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2005-03-22 — — US disclosed
US-6861428-B2 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2005-03-01 — — US disclosed
CN-1558903-A Water-soluble phenylpyridazine derivative and drug containing the same ������������ʽ���� 2004-12-29 — — CN disclosed
EP-1431293-A1 WATER-SOLUBLE PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME Kowa Co., Ltd. (JP) 2004-06-23 — — EP disclosed
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2004-01-01 — — US disclosed
US-20030119838-A1 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2003-06-26 — — 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 (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-20030119838-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 NR1H2 559/4885SMN1; SMN2 4730/4885POLB 3220/4885
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 NR1H2 640/4885SMN1; SMN2 4722/4885POLB 3368/4885
US-20050085480-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 NR1H2 326/4885SMN1; SMN2 4777/4885POLB 3181/4885

“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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