SCHEMBL7224079

SCHEMBL7224079

N=C(N)c1c[nH]c2ccc(CCNC(=O)c3ccc(-c4ccc(OCc5ccccc5)cc4)cc3)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.54
PLA2G2A P14555 2/20 0.54
TRPV1 Q8NER1 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
IGF1R P08069 1/20 0.48
MET P08581 1/20 0.48
SRC P12931 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ACHE P22303 1/20 0.47
CDK4 P11802 2/20 0.47
CCND1 P24385 2/20 0.47
F10 P00742 1/20 0.47
SPHK2 Q9NRA0 2/20 0.47
SNCA P37840 2/20 0.47

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
SCHEMBL7224750 0.87 KMT2A (0.58) TRPV1MEN1KMT2ANPC1MAPT
SCHEMBL7224324 0.85 CDK4 (0.47) TRPV1KMT2ACDK4CCND1F10
SCHEMBL7223277 0.84 F10 (0.52) TRPV1MEN1KMT2ANPC1MAPT
SCHEMBL7857145 0.83 CDK4 (0.47) TRPV1MEN1KMT2ANPC1MAPT
SCHEMBL7225358 0.83 SNCA (0.52) TRPV1NPC1RAB9ASMN1; SMN2CDK4
SCHEMBL7231033 0.82 SNCA (0.45) TRPV1CDK4CCND1F10SNCA
SCHEMBL7224360 0.82 KMT2A (0.47) TRPV1MEN1KMT2ACDK4CCND1
SCHEMBL7225859 0.81 F10 (0.54) TRPV1MEN1KMT2ACDK4CCND1
SCHEMBL7224921 0.81 CDK4 (0.44) TRPV1MEN1KMT2ACDK4CCND1
SCHEMBL7229477 0.81 F10 (0.47) TRPV1MAPTCDK4CCND1F10

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 LTA4H 339/4885PLA2G2A 1717/4885TRPV1 4561/4885

“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.