SCHEMBL7222956

SCHEMBL7222956

N#Cc1c[nH]c2ccc(CCNC(=O)c3ccc(-c4cccc(C(=O)O)c4)cc3)cc12

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
SNCA P37840 11/20 0.52
CDK4 P11802 4/20 0.52
CCND1 P24385 4/20 0.52
TRPV1 Q8NER1 1/20 0.48
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 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
SCHEMBL7224298 0.85 CDK4 (0.54) MAPTSNCACDK4CCND1TRPV1
SCHEMBL7224765 0.85 MAPT (0.51) MAPTSNCACDK4CCND1TRPV1
SCHEMBL7225068 0.85 SNCA (0.49) MAPTSNCACDK4CCND1TRPV1
SCHEMBL7231078 0.84 MAPT (0.49) MAPTSNCACDK4CCND1TRPV1
SCHEMBL7231199 0.84 SNCA (0.49) MAPTSNCACDK4CCND1TRPV1
SCHEMBL7230167 0.82 SNCA (0.61) MAPTSNCA
SCHEMBL7230466 0.82 SNCA (0.47) MAPTSNCACDK4CCND1TRPV1
SCHEMBL7223277 0.82 F10 (0.52) MAPTSNCACDK4CCND1TRPV1
SCHEMBL7223336 0.81 SNCA (0.49) MAPTSNCACDK4CCND1TRPV1
SCHEMBL7224390 0.81 CDK4 (0.53) SNCACDK4CCND1TRPV1EPHX2

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 MAPT 4540/4885SNCA 2451/4885CDK4 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.