SCHEMBL7229732

SCHEMBL7229732

N#Cc1c[nH]c2ccc(CCNC(=O)c3ccc(-c4ncns4)cc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SNCA P37840 13/20 0.47
MAPT P10636 2/20 0.43
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
ACHE P22303 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
XDH P47989 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
SCHEMBL7231199 0.84 SNCA (0.49) SNCAMAPTCDK4CCND1ACHE
SCHEMBL7224297 0.83 KMT2A (0.42) SNCAMAPTCDK4CCND1TRPV1
SCHEMBL7853531 0.83 SNCA (0.47) SNCAMAPTCDK4CCND1ACHE
SCHEMBL7225068 0.81 SNCA (0.49) SNCAMAPTCDK4CCND1ACHE
SCHEMBL7222941 0.81 SNCA (0.47) SNCAMAPTCDK4CCND1ACHE
SCHEMBL7230466 0.81 SNCA (0.47) SNCAMAPTCDK4CCND1ACHE
SCHEMBL7230428 0.80 SNCA (0.46) SNCAMAPTCDK4CCND1ACHE
SCHEMBL7224298 0.80 CDK4 (0.54) SNCAMAPTCDK4CCND1TRPV1
SCHEMBL7224390 0.80 CDK4 (0.53) SNCACDK4CCND1TRPV1
SCHEMBL7221891 0.80 TRPV1 (0.47) SNCAMAPTCDK4CCND1ACHE

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 4540/4885CDK4 3673/4885

“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.