SCHEMBL7091829

SCHEMBL7091829

O=C(O)C=Cc1ccc(-c2cccnn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.50
HDAC2 Q92769 3/20 0.50
HCAR2 Q8TDS4 2/20 0.50
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
TNKS O95271 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
ESR1 P03372 2/20 0.47
CA12 O43570 2/20 0.47
AKR1B10 O60218 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA3 P07451 2/20 0.47

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
SCHEMBL11821840 1.00 HDAC4 (0.50) HDAC4HDAC2HCAR2HDAC3HDAC1
SCHEMBL11827474 0.79 HDAC2 (0.56) HDAC4HDAC2HCAR2HDAC3HDAC1
SCHEMBL11827477 0.79 HDAC2 (0.56) HDAC4HDAC2HCAR2HDAC3HDAC1
SCHEMBL6227079 0.78 ALDH1A1 (0.46) HDAC4DHODHKDM4EALDH1A1MAPK1
SCHEMBL6851894 0.78 HDAC4 (0.43) HDAC4HDAC2HDAC3HDAC1HDAC7
SCHEMBL6851881 0.78 HDAC4 (0.43) HDAC4HDAC2HDAC3HDAC1HDAC7
SCHEMBL6226143 0.77 HDAC4 (0.41) HDAC4DHODH
SCHEMBL1124647 0.76 HDAC4 (0.43) HDAC4DHODHKDM4EALDH1A1SMN1; SMN2
Maleic Acid SCHEMBL3713604 0.76 WNT3A (0.49) HDAC4HCAR2DHODHKDM4EALDH1A1
SCHEMBL4946181 0.75 HCAR2 (0.71) HDAC4HDAC2HCAR2HDAC3HDAC1

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-20030162662-A1 2-Phenyl-2h-pyridazine-3-ones BASF AKTIENGESELLSCHAFT (DE) 2003-08-28 US claimed
US-20030130123-A1 2-Phenyl-2h-pyridazine-3-ones BASF AKTIENGESELLSCHAFT (DE) 2003-07-10 US claimed
US-20030162662-A1 2-Phenyl-2h-pyridazine-3-ones BASF AKTIENGESELLSCHAFT (DE) 2003-08-28 US disclosed
US-20030130123-A1 2-Phenyl-2h-pyridazine-3-ones BASF AKTIENGESELLSCHAFT (DE) 2003-07-10 US disclosed
US-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 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-20030130123-A1 2-Phenyl-2h-pyridazine-3-ones CNPY2, CBR3, CBR1 HDAC4 1330/4885HDAC2 1382/4885HCAR2 716/4885
US-20030162662-A1 2-Phenyl-2h-pyridazine-3-ones CNPY2, CBR3, CBR1 HDAC4 1676/4885HDAC2 1365/4885HCAR2 1193/4885

“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.