SCHEMBL7229447

SCHEMBL7229447

N#Cc1c[nH]c2ccc(CCNC(=O)c3ccc(-c4cc5cnccc5[nH]4)cc3)cc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SNCA P37840 8/20 0.44
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
HASPIN Q8TF76 1/20 0.43
NAMPT P43490 3/20 0.42
MAPT P10636 2/20 0.41
RIPK1 Q13546 1/20 0.40
F3 P13726 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
MAPK3 P27361 1/20 0.38
MAPK1 P28482 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
SCHEMBL7231740 0.88 SNCA (0.43) SNCAMAPTRIPK1CDK4CCND1
SCHEMBL7222941 0.84 SNCA (0.47) SNCAMAPTCDK4CCND1
SCHEMBL7222317 0.84 SNCA (0.44) SNCANAMPTRIPK1F3HDAC3
SCHEMBL7221771 0.84 SNCA (0.43) SNCACCNT1CDK9HASPINMAPT
SCHEMBL7224298 0.84 CDK4 (0.54) SNCAMAPTGAAHPGDCDK4
SCHEMBL7231199 0.82 SNCA (0.49) SNCAMAPTHDAC1CDK4CCND1
SCHEMBL7230466 0.81 SNCA (0.47) SNCAMAPTCDK4CCND1
SCHEMBL7853531 0.79 SNCA (0.47) SNCAMAPTCDK4CCND1
SCHEMBL7223332 0.78 SNCA (0.49) SNCAMAPT
SCHEMBL7225068 0.78 SNCA (0.49) SNCAMAPTCDK4CCND1

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 2451/4885CCNT1 1564/4885CDK9 716/4885

“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.