SCHEMBL5872634

SCHEMBL5872634

O=C(O)/C=C(\c1ccccc1)n1cnc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
ASAH1 Q13510 5/20 0.49
MEN1 O00255 1/20 0.48
DNMT3A Q9Y6K1 1/20 0.47
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 2/20 0.45
STAT6 P42226 1/20 0.45
EGLN3 Q9H6Z9 1/20 0.43
MITF O75030 1/20 0.43
XBP1 P17861 1/20 0.43
MDM2 Q00987 1/20 0.43

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
SCHEMBL5872635 1.00 KMT2A (0.51) KMT2ASMN1; SMN2ASAH1MEN1DNMT3A
SCHEMBL11174003 0.88 KMT2A (0.49) KMT2ASMN1; SMN2ASAH1MEN1DNMT3A
SCHEMBL2292398 0.87 NPC1 (0.50) KMT2ASMN1; SMN2ASAH1MEN1DNMT3A
SCHEMBL2292401 0.87 NPC1 (0.50) KMT2ASMN1; SMN2ASAH1MEN1DNMT3A
SCHEMBL2292393 0.87 NPC1 (0.50) KMT2ASMN1; SMN2ASAH1MEN1DNMT3A
SCHEMBL12420180 0.83 SMN1; SMN2 (0.50) KMT2ASMN1; SMN2ASAH1MEN1DNMT3A
SCHEMBL31561667 0.83 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2ASAH1MEN1DNMT3A
SCHEMBL12380644 0.82 ALDH1A1 (0.47) KMT2ASMN1; SMN2ASAH1MEN1DNMT3A
SCHEMBL9304918 0.80 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2ASAH1MEN1DNMT3A
SCHEMBL9304930 0.80 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2ASAH1MEN1DNMT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171346-A1 Hexahydropyridazine-3-carboxylic acid derivatives, pharmaceutical compositions containing same and methods of preparation AVENTIS PHARMA S.A. (FR) 2005-08-04 US claimed
US-7034022-B2 Hexahydropyridazine-3-carboxylic acid derivatives, pharmaceutical compositions containing same and methods of preparation AVENTIS PHARMA S. A. (FR) 2006-04-25 US disclosed
US-20050171346-A1 Hexahydropyridazine-3-carboxylic acid derivatives, pharmaceutical compositions containing same and methods of preparation AVENTIS PHARMA S.A. (FR) 2005-08-04 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-20050171346-A1 Hexahydropyridazine-3-carboxylic acid derivatives, pharmaceutical compositions containing same and methods of preparation HEXD, CDK5, CHUK KMT2A 3045/4885SMN1; SMN2 3079/4885ASAH1 113/4885

“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.