SCHEMBL7224298

SCHEMBL7224298

N#Cc1c[nH]c2ccc(CCNC(=O)c3ccc(-c4cccnc4)cc3)cc12

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.54
CCND1 P24385 2/20 0.54
SNCA P37840 7/20 0.51
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PTAFR P25105 4/20 0.46
TRPV1 Q8NER1 1/20 0.45
F10 P00742 1/20 0.44
PRSS1 P07477 1/20 0.44

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
SCHEMBL7231199 0.90 SNCA (0.49) CDK4CCND1SNCAMAPTTRPV1
SCHEMBL7230466 0.88 SNCA (0.47) CDK4CCND1SNCAMAPTTRPV1
SCHEMBL7222956 0.85 MAPT (0.55) CDK4CCND1SNCAMAPTMEN1
SCHEMBL7222941 0.84 SNCA (0.47) CDK4CCND1SNCAMAPTF10
SCHEMBL7225859 0.84 F10 (0.54) CDK4CCND1SNCAGAAHPGD
SCHEMBL7229447 0.84 SNCA (0.44) CDK4CCND1SNCAMAPTGAA
SCHEMBL7221891 0.83 TRPV1 (0.47) CDK4CCND1SNCAMAPTKMT2A
SCHEMBL7225068 0.83 SNCA (0.49) CDK4CCND1SNCAMAPTTRPV1
SCHEMBL7231078 0.83 MAPT (0.49) CDK4CCND1SNCAMAPTMEN1
SCHEMBL7853531 0.83 SNCA (0.47) CDK4CCND1SNCAMAPTF10

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-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 US disclosed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 US disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO 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-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds SERPINC1, F2, F11 CDK4 3673/4885CCND1 3354/4885SNCA 2451/4885

“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.