SCHEMBL7224857

SCHEMBL7224857

N#Cc1c[nH]c2ccc(CCNC(=O)c3ccc(N4CCOCC4)nc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.46
ALDH1A1 P00352 4/20 0.45
SNCA P37840 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
EGLN1 Q9GZT9 4/20 0.43
NAMPT P43490 1/20 0.42
BACE1 P56817 1/20 0.42
HPGDS O60760 1/20 0.42
PRMT5 O14744 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KCNQ3 O43525 1/20 0.41

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
SCHEMBL7223320 0.84 SNCA (0.46) ALDH1A1SNCASMN1; SMN2NPC1MAPT
SCHEMBL7242461 0.84 SNCA (0.45) ALDH1A1SNCASMN1; SMN2NPC1MAPT
SCHEMBL7222565 0.82 JAK2 (0.45) SNCABACE1HPGDS
SCHEMBL7232251 0.82 SNCA (0.42) ALDH1A1SNCASMN1; SMN2NPC1MAPT
SCHEMBL7229911 0.82 CXCR4 (0.49) ALDH1A1SNCALMNAEGLN1HPGD
SCHEMBL7222911 0.82 SNCA (0.46) SNCAEGLN1HPGD
SCHEMBL7224222 0.81 NPC1 (0.54) SNCASMN1; SMN2NPC1MAPTRAB9A
SCHEMBL9935406 0.79 HPGD (0.60) SNCAHPGD
SCHEMBL7225071 0.78 SNCA (0.45) SNCAMAPTLMNAKDM4E
SCHEMBL7230299 0.77 SNCA (0.46) SNCAMAPTBACE1

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 USP30 3186/4885ALDH1A1 2804/4885SNCA 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.