SCHEMBL1925375

SCHEMBL1925375

Cc1cc(-c2cc(CN(CCO)CCO)c(=O)n(CC(C)C)n2)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GRIN2B Q13224 4/20 0.33
SRC P12931 2/20 0.33
KCNH2 Q12809 1/20 0.33
GRIN1 Q05586 1/20 0.32
IDH1 O75874 3/20 0.32
PHGDH O43175 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PTGER1 P34995 1/20 0.31

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
Hydrochloric Acid SCHEMBL1924794 0.99 TRPV3 (0.35) TRPV3MAPTKMT2AMEN1GRIN2B
SCHEMBL1924523 0.93 HTT (0.34) TRPV3MAPTKMT2AMEN1GRIN2B
SCHEMBL1927156 0.92 GRIN2B (0.34) MAPTKMT2AMEN1GRIN2BKCNH2
Hydrochloric Acid SCHEMBL1924980 0.92 HTT (0.34) TRPV3MAPTKMT2AMEN1GRIN2B
Hydrochloric Acid SCHEMBL1926289 0.91 GRIN2B (0.34) MAPTKMT2AMEN1GRIN2BKCNH2
SCHEMBL1924355 0.89 KCNH2 (0.39) TRPV3MAPTKMT2AMEN1GRIN2B
Hydrochloric Acid SCHEMBL1925223 0.88 KCNH2 (0.39) TRPV3MAPTKMT2AMEN1GRIN2B
SCHEMBL1925073 0.86 NMT1 (0.38) TRPV3MAPTKMT2AMEN1GRIN2B
SCHEMBL1924759 0.86 MEN1 (0.40) MAPTKMT2AMEN1CYP2D6
SCHEMBL1924483 0.86 TRPV3 (0.39) TRPV3MAPTKMT2AMEN1GRIN2B

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 7 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
US-7211577-B2 Water-soluble phenylpyridazine derivative and medicine containing the same KOWA CO., LTD. (JP) 2007-05-01 US disclosed
US-20060142292-A1 4-(4-tert-butoxycarbonyl-1-piperazinyl)methyl-6-(3-fluoro-4-methylphenyl)-2-isobutyl-2H-pyridazin-3-one;inhibiting interleukin-1 beta, high water solubility and oral absorbability; treating immune system diseases, inflammatory diseases, and ischemic diseases KOWA CO., LTD. (JP) 2006-06-29 US disclosed
EP-1604984-A1 WATER-SOLUBLE PHENYLPYRIDAZINE DERIVATIVE AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2005-12-14 EP disclosed
US-6861428-B2 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2005-03-01 US 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

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-20060142292-A1 4-(4-tert-butoxycarbonyl-1-piperazinyl)methyl-6-(3-fluoro-4-methylphenyl)-2-isobutyl-2H-pyridazin-3-one;inhibiting interleukin-1 beta, high water solubility and oral absorbability; treating immune system diseases, inflammatory diseases, and ischemic diseases IL1B, IL1A, IL1R1 TRPV3 1372/4885MAPT 2720/4885KMT2A 2387/4885
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 TRPV3 2405/4885MAPT 4306/4885KMT2A 3413/4885

“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.