SCHEMBL7232120

SCHEMBL7232120

Cc1cc(-c2ccc[nH]c2=O)ccc1C(=O)NCCc1ccc2[nH]cc(C#N)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 8/20 0.43
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
SNCA P37840 1/20 0.41
BACE1 P56817 2/20 0.40
POLB P06746 5/20 0.40
TP53 P04637 2/20 0.40
TDP1 Q9NUW8 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL7223336 0.90 SNCA (0.49) MAPTCDK4CCND1SNCA
SCHEMBL7229315 0.78 ROCK2 (0.45) NPC1RAB9AATMLMNAL3MBTL1
SCHEMBL7224765 0.77 MAPT (0.51) MAPTCDK4CCND1SNCA
SCHEMBL7224390 0.75 CDK4 (0.53) NPC1RAB9ACDK4CCND1SNCA
SCHEMBL7229744 0.74 SNCA (0.49) MAPTCDK4CCND1SNCAPOLB
SCHEMBL7854589 0.73 SNCA (0.43) MAPTCDK4CCND1SNCAPOLB
SCHEMBL7222956 0.73 MAPT (0.55) NPC1RAB9AMAPTCDK4CCND1
SCHEMBL7231078 0.73 MAPT (0.49) MAPTCDK4CCND1SNCAMEN1
SCHEMBL7225068 0.73 SNCA (0.49) MAPTCDK4CCND1SNCA
SCHEMBL7853531 0.73 SNCA (0.47) MAPTCDK4CCND1SNCAKDM4E

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 NPC1 4442/4885RAB9A 2313/4885ATM 1378/4885

“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.