SCHEMBL7229820

SCHEMBL7229820

N=C(N)c1c[nH]c2ccc(CCNC(=O)Cc3cccc(Cl)c3)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 1/20 0.56
HPGD P15428 1/20 0.56
HAT1 O14929 1/20 0.49
EP300 Q09472 1/20 0.49
HSD17B2 P37059 2/20 0.48
SNCA P37840 3/20 0.47
GABRP O00591 3/20 0.46
GABRD O14764 3/20 0.46
GABRA1 P14867 3/20 0.46
GABRB1 P18505 3/20 0.46
GABRG2 P18507 3/20 0.46
GABRB3 P28472 3/20 0.46
GABRA5 P31644 3/20 0.46
GABRA3 P34903 3/20 0.46
GABRA2 P47869 3/20 0.46
GABRB2 P47870 3/20 0.46
GABRA4 P48169 3/20 0.46

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
SCHEMBL7232087 0.90 CA12 (0.48) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD
SCHEMBL7222687 0.85 SNCA (0.56) HPGDSNCA
SCHEMBL7225095 0.81 ALDH1A1 (0.57) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD
SCHEMBL7222947 0.80 SNCA (0.60) KMT2AMEN1SNCA
SCHEMBL7231183 0.76 LMNA (0.43) SNCA
SCHEMBL7225235 0.75 F10 (0.52) KMT2AMEN1SNCA
SCHEMBL7222371 0.74 HTR1D (0.51) ALDH1A1KMT2AMEN1HPGDGABRP
SCHEMBL7224324 0.73 CDK4 (0.47) KMT2AHAT1EP300SNCATRPV1
SCHEMBL7223277 0.72 F10 (0.52) KMT2AMEN1SNCATRPV1
SCHEMBL7230778 0.72 LMNA (0.41) KMT2AMEN1

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 8 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
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP claimed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO 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
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.