SCHEMBL7224921

SCHEMBL7224921

N=C(N)c1c[nH]c2ccc(CCNC(=O)c3ccc(-c4cc[n+]([O-])cc4)cc3)cc12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.44
CCND1 P24385 4/20 0.44
SNCA P37840 5/20 0.43
TRPV1 Q8NER1 1/20 0.42
F10 P00742 1/20 0.42
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL7223408 0.90 CDK4 (0.45) CDK4CCND1SNCATRPV1F10
SCHEMBL7232246 0.90 SNCA (0.47) SNCATRPV1LMNAL3MBTL1MEN1
SCHEMBL7224324 0.89 CDK4 (0.47) CDK4CCND1SNCATRPV1F10
SCHEMBL7224700 0.87 F10 (0.43) CDK4CCND1SNCATRPV1F10
SCHEMBL7225358 0.87 SNCA (0.52) CDK4CCND1SNCATRPV1F10
SCHEMBL7231033 0.86 SNCA (0.45) CDK4CCND1SNCATRPV1F10
SCHEMBL7224360 0.86 KMT2A (0.47) CDK4CCND1SNCATRPV1F10
SCHEMBL7224750 0.85 KMT2A (0.58) CDK4CCND1SNCATRPV1LMNA
SCHEMBL7222947 0.84 SNCA (0.60) SNCAMEN1KMT2A
SCHEMBL7223277 0.84 F10 (0.52) CDK4CCND1SNCATRPV1F10

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 claimed
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 claimed
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

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.