SCHEMBL7230428

SCHEMBL7230428

N#Cc1c[nH]c2ccc(CCNC(=O)c3ccc(-c4cnc(=O)[nH]n4)cc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SNCA P37840 12/20 0.46
MAPT P10636 3/20 0.42
TRPV1 Q8NER1 2/20 0.40
XDH P47989 1/20 0.40
TP53 P04637 1/20 0.40
ACHE P22303 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39

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
SCHEMBL7229562 0.89 SNCA (0.46) SNCAMAPTTRPV1XDHTP53
SCHEMBL7231424 0.85 SNCA (0.45) SNCAMAPTTRPV1ACHECDK4
SCHEMBL7225257 0.83 SNCA (0.40) SNCAMAPTTRPV1TP53CDK4
SCHEMBL7231199 0.83 SNCA (0.49) SNCAMAPTTRPV1ACHECDK4
SCHEMBL7223332 0.82 SNCA (0.49) SNCAMAPT
SCHEMBL7853531 0.81 SNCA (0.47) SNCAMAPTACHECDK4CCND1
SCHEMBL7230466 0.81 SNCA (0.47) SNCAMAPTTRPV1ACHECDK4
SCHEMBL7222941 0.81 SNCA (0.47) SNCAMAPTACHECDK4CCND1
SCHEMBL7229789 0.81 SNCA (0.44) SNCAMAPTTRPV1ACHECDK4
SCHEMBL7229732 0.80 SNCA (0.47) SNCAMAPTTRPV1XDHACHE

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 SNCA 2451/4885MAPT 4540/4885TRPV1 4561/4885

“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.