SCHEMBL4297017

SCHEMBL4297017

CC(=O)N1c2ccc(C(=O)NCCN3CCOCC3)cc2NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 4/20 0.44
HTR1A P08908 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
KCNH2 Q12809 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
EPHX2 P34913 2/20 0.41
POLB P06746 1/20 0.41
HTR3A P46098 1/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PLK1 P53350 1/20 0.40

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
SCHEMBL4300577 0.93 NTRK1 (0.42) KMT2AALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL4287190 0.88 NPSR1 (0.41) KMT2AALDH1A1HTTLMNAPOLB
SCHEMBL4292291 0.87 KMT2A (0.42) KMT2ASMN1; SMN2MEN1HPGDHSD17B10
SCHEMBL4287492 0.86 MEN1 (0.41) KMT2AMEN1HSD17B10
SCHEMBL4297014 0.85 MEN1 (0.40) KMT2AALDH1A1MEN1CYP3A4KDM4E
SCHEMBL4296392 0.85 MEN1 (0.42) KMT2AMEN1
SCHEMBL4298836 0.85 KMT2A (0.49) KMT2AALDH1A1HTR1AMAOAMAOB
SCHEMBL4291810 0.85 MEN1 (0.43) KMT2AALDH1A1MEN1CYP3A4KDM4E
SCHEMBL4296733 0.84 MEN1 (0.40) KMT2AALDH1A1SMN1; SMN2MEN1KDM4E
SCHEMBL4287067 0.82 MEN1 (0.48) KMT2AALDH1A1SMN1; SMN2MEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221559-A1 BENZODIAZEPINES AS HCV INHIBITORS BONFANTI JEAN-FRANCOIS 2009-09-03 US disclosed
US-20090221559-A1 BENZODIAZEPINES AS HCV INHIBITORS BONFANTI JEAN-FRANCOIS 2009-09-03 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-20090221559-A1 BENZODIAZEPINES AS HCV INHIBITORS GABRA5, GABRA4, GABRA3 KMT2A 1440/4885ALDH1A1 372/4885HTR1A 278/4885

“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.