SCHEMBL5584490

SCHEMBL5584490

Cc1cc(-c2cc(CBr)c(=O)n(Cc3ccccc3Cl)n2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.43
MEN1 O00255 7/20 0.43
TP53 P04637 3/20 0.42
MAPT P10636 3/20 0.39
BRD4 O60885 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR35 Q9HC97 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 2/20 0.38
CNR2 P34972 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
SCHEMBL5584145 0.90 KMT2A (0.43) KMT2AMEN1TP53MAPTBRD4
SCHEMBL5584514 0.90 KMT2A (0.43) KMT2AMEN1TP53MAPTBRD4
Hydrochloric Acid SCHEMBL5584228 0.89 KMT2A (0.42) KMT2AMEN1TP53MAPTBRD4
SCHEMBL5584761 0.87 KMT2A (0.41) KMT2AMEN1TP53MAPTBRD4
SCHEMBL5585224 0.86 KMT2A (0.40) KMT2AMEN1TP53MAPTBRD4
Hydrochloric Acid SCHEMBL5584547 0.86 KMT2A (0.40) KMT2AMEN1TP53MAPTBRD4
SCHEMBL5584504 0.85 KMT2A (0.42) KMT2AMEN1TP53MAPTRAB9A
SCHEMBL5584852 0.84 MEN1 (0.39) KMT2AMEN1TP53MAPTBRD4
SCHEMBL5584621 0.84 TP53 (0.43) KMT2AMEN1TP53MAPTBRD4
SCHEMBL5584857 0.84 CNR2 (0.46) KMT2AMEN1TP53MAPTGAA

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 KMT2A 2387/4885MEN1 4001/4885TP53 1443/4885
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 KMT2A 3413/4885MEN1 4656/4885TP53 1226/4885

“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.