SCHEMBL7225071

SCHEMBL7225071

N#Cc1c[nH]c2ccc(CCNC(=O)c3ccc(NCCO)nc3)cc12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SNCA P37840 10/20 0.45
MAPT P10636 3/20 0.39
TRPV1 Q8NER1 2/20 0.39
TDO2 P48775 1/20 0.39
XDH P47989 1/20 0.39
ACHE P22303 1/20 0.39
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL7224222 0.85 NPC1 (0.54) SNCAMAPTXDH
SCHEMBL7231169 0.83 HAT1 (0.42) SNCAMAPTTRPV1TDO2GAA
SCHEMBL7223320 0.81 SNCA (0.46) SNCAMAPTTRPV1ACHEGAA
SCHEMBL7237395 0.81 EIF2AK2 (0.46) SNCAMAPTACHE
SCHEMBL7231199 0.79 SNCA (0.49) SNCAMAPTTRPV1ACHE
SCHEMBL7229911 0.78 CXCR4 (0.49) SNCAKDM4ELMNA
SCHEMBL7232251 0.78 SNCA (0.42) SNCAMAPTKDM4ELMNAPOLB
SCHEMBL7222911 0.78 SNCA (0.46) SNCAXDHGAA
SCHEMBL7224857 0.78 USP30 (0.46) SNCAMAPTKDM4ELMNA
SCHEMBL7224390 0.78 CDK4 (0.53) SNCATRPV1POLB

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.