SCHEMBL6794815

SCHEMBL6794815

Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CO)cc(I)c21

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
KCNH2 Q12809 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
POLA1 P09884 1/20 0.48

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
SCHEMBL6802248 0.94 MAPT (0.52) MAPTKCNH2MEN1KMT2APOLA1
SCHEMBL7834320 0.86 MAPT (0.53) MAPTKCNH2MEN1KMT2A
SCHEMBL6789243 0.84 POLA1 (0.69) KCNH2MEN1KMT2APOLA1
SCHEMBL6797030 0.84 KCNH2 (0.53) MAPTKCNH2MEN1KMT2APOLA1
SCHEMBL6814897 0.83 MAPT (0.68) MAPTKCNH2MEN1KMT2A
SCHEMBL7854710 0.82 MAPT (0.52) MAPTKCNH2MEN1KMT2APOLA1
SCHEMBL7938457 0.78 MAPT (0.67) MAPTKCNH2MEN1KMT2A
SCHEMBL6669967 0.77 KCNH2 (0.66) KCNH2
SCHEMBL6277664 0.77 KCNH2 (0.54) MAPTKCNH2MEN1KMT2A
SCHEMBL6698616 0.77 MAPT (0.47) MAPTKCNH2MEN1KMT2A

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
US-6727248-B2 N-(4-CHLOROBENZYL)-8-(3-HYDROXY-1-PROPYNYL)-1-METHYL-6-(4 -MORPHOLINYLMETHYL)-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDE, FOR TREATING INFECTIONS BY HERPES VIRUSES PHARMACIA & UPJOHN COMPANY 2004-04-27 US disclosed
US-20030149035-A1 Substituted quinolinecarboxamides as antiviral agents VAILLANCOURT VALERIE A (US) 2003-08-07 US disclosed
US-6544990-B2 Substituted quinolinecarboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2003-04-08 US disclosed
US-20020165253-A1 Substituted quinolinecarboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-11-07 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-20030149035-A1 Substituted quinolinecarboxamides as antiviral agents ZC3HAV1, IRF3, EIF2AK2 MAPT 3616/4885KCNH2 915/4885MEN1 3830/4885
US-20020165253-A1 Substituted quinolinecarboxamides as antiviral agents ZC3HAV1, IRF3, EIF2AK2 MAPT 3616/4885KCNH2 915/4885MEN1 3830/4885

“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.