SCHEMBL5584388

SCHEMBL5584388

Cc1cc(-c2cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(=O)n(Cc3c(Cl)cccc3Cl)n2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
VEGFA P15692 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SETD7 Q8WTS6 1/20 0.39
P2RX7 Q99572 1/20 0.39
SQOR Q9Y6N5 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
IDO2 Q6ZQW0 1/20 0.37
ADORA2A P29274 1/20 0.37
DDR1 Q08345 1/20 0.37
POLB P06746 1/20 0.37
TBK1 Q9UHD2 2/20 0.37

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
SCHEMBL27624062 0.91 VEGFA (0.42) ALDH1A1ALOX15TDP1VEGFAEGLN1
SCHEMBL1924638 0.90 VEGFA (0.45) ALDH1A1VEGFAEGLN1MEN1KMT2A
SCHEMBL1925318 0.85 IDO1 (0.42) ALDH1A1VEGFAEGLN1SETD7P2RX7
SCHEMBL5584204 0.85 KMT2A (0.46) ALDH1A1ALOX15TDP1MEN1KMT2A
SCHEMBL1924778 0.83 VEGFA (0.44) ALDH1A1VEGFAEGLN1MEN1KMT2A
SCHEMBL1924780 0.83 VEGFA (0.44) ALDH1A1VEGFAEGLN1MEN1KMT2A
SCHEMBL5585232 0.83 KMT2A (0.45) ALDH1A1MEN1KMT2ATP53MAPT
SCHEMBL1924569 0.82 ALDH1A1 (0.39) ALDH1A1VEGFAEGLN1MEN1KMT2A
SCHEMBL1924571 0.82 ALDH1A1 (0.39) ALDH1A1VEGFAEGLN1MEN1KMT2A
SCHEMBL27535258 0.80 VEGFA (0.44) ALDH1A1VEGFAEGLN1MEN1KMT2A

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
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
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 ALDH1A1 434/4885ALOX15 995/4885TDP1 1072/4885
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 ALDH1A1 174/4885ALOX15 111/4885TDP1 1799/4885

“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.