SCHEMBL7225095

SCHEMBL7225095

N#Cc1c[nH]c2ccc(CCNC(=O)Cc3cccc(Cl)c3)cc12

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 2/20 0.57
HPGD P15428 2/20 0.57
SNCA P37840 9/20 0.49
HSD17B2 P37059 2/20 0.48
TRPV1 Q8NER1 2/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HAT1 O14929 1/20 0.43
EP300 Q09472 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL7230167 0.85 SNCA (0.61) SNCAMAPT
SCHEMBL7229820 0.81 ALDH1A1 (0.56) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD
SCHEMBL6316429 0.74 ALDH1A1 (0.66) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD
SCHEMBL7224222 0.73 NPC1 (0.54) KMT2ASMN1; SMN2MEN1HPGDSNCA
SCHEMBL7222956 0.72 MAPT (0.55) KMT2AMEN1SNCATRPV1MAPT
SCHEMBL7222767 0.72 HTR1D (0.50) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL7223781 0.71 PFKFB2 (0.41) SNCATRPV1MAPT
SCHEMBL7224390 0.71 CDK4 (0.53) KMT2ASNCATRPV1CA1CA2
SCHEMBL7232087 0.70 CA12 (0.48) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD
SCHEMBL7221816 0.70 SLC6A4 (0.51)

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 ALDH1A1 2804/4885KMT2A 1746/4885SMN1; SMN2 2242/4885

“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.