SCHEMBL9955083

SCHEMBL9955083

CCOC(=O)/C=C/c1cccc(S(=O)(=O)Nc2cc(-c3cn4nc(Cl)ccc4n3)ccc2C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
TP53 P04637 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HDAC3 O15379 5/20 0.37
HDAC4 P56524 5/20 0.37
HDAC1 Q13547 5/20 0.37
HDAC7 Q8WUI4 5/20 0.37
HDAC2 Q92769 5/20 0.37
HDAC10 Q969S8 5/20 0.37
HDAC11 Q96DB2 5/20 0.37
HDAC8 Q9BY41 5/20 0.37
HDAC6 Q9UBN7 5/20 0.37
HDAC9 Q9UKV0 5/20 0.37
HDAC5 Q9UQL6 5/20 0.37
TRIM24 O15164 1/20 0.36
BRD4 O60885 1/20 0.36
BRD1 O95696 1/20 0.36
TAF1 P21675 1/20 0.36
BRD2 P25440 1/20 0.36
SMARCA4 P51532 1/20 0.36

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
SCHEMBL9955085 1.00 MAPT (0.42) MAPTTP53SMN1; SMN2HDAC3HDAC4
SCHEMBL9956251 0.92 MAPT (0.43) MAPTTP53SMN1; SMN2HDAC3HDAC4
SCHEMBL9956253 0.92 MAPT (0.43) MAPTTP53SMN1; SMN2HDAC3HDAC4
SCHEMBL9957586 0.89 HDAC1 (0.49) MAPTTP53SMN1; SMN2HDAC3HDAC4
SCHEMBL9957589 0.89 HDAC1 (0.49) MAPTTP53SMN1; SMN2HDAC3HDAC4
SCHEMBL9956305 0.85 POLB (0.42) MAPTTP53SMN1; SMN2PKMBLM
SCHEMBL9956301 0.85 POLB (0.42) MAPTTP53SMN1; SMN2PKMBLM
SCHEMBL9956444 0.84 MAPT (0.37) MAPTTP53SMN1; SMN2HDAC3HDAC4
SCHEMBL9956344 0.80 HDAC1 (0.49) MAPTTP53SMN1; SMN2HDAC3HDAC4
SCHEMBL9956342 0.80 HDAC1 (0.49) MAPTTP53SMN1; SMN2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635578-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES Hengrui (USA) Ltd. (US) 2013-09-11 EP claimed
US-20120178751-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES HENGRUI (USA), LTD. 2012-07-12 US claimed
WO-2012088411-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES PAMLICO PHARMACEUTICAL INC. (US) 2012-06-28 WO claimed
EP-2635578-B1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES HENGRUI USA LTD (US) 2015-12-16 EP 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-20120178751-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES PRXL2A, CDK2, CCNA2 MAPT 4038/4885TP53 10/4885SMN1; SMN2 1880/4885

“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.