SCHEMBL7243729

SCHEMBL7243729

COc1ccc(C(=O)c2cccc(N)c2NC(=O)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
ACHE P22303 2/20 0.47
ACKR3 P25106 3/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 3/20 0.45
GALR3 O60755 1/20 0.45
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
CCR5 P51681 1/20 0.45
DRD4 P21917 2/20 0.44
LTA4H P09960 1/20 0.44
HTT P42858 2/20 0.44

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
SCHEMBL7243422 0.89 ACKR3 (0.49) ACHEACKR3KMT2AMEN1PRKAB2
SCHEMBL5223734 0.89 CHRM4 (0.51) ACHEACKR3KMT2AMEN1PRKAB2
SCHEMBL7246833 0.88 ACKR3 (0.48) ACHEACKR3KMT2AMEN1PRKAB2
SCHEMBL5226527 0.88 CCR5 (0.49) ALDH1A1ACHEACKR3KMT2AMEN1
SCHEMBL5226525 0.87 PRKAB2 (0.52) ACHEACKR3KMT2AMEN1PRKAB2
SCHEMBL5224692 0.87 CYP3A4 (0.48) ACHEACKR3KMT2AMEN1PRKAB2
SCHEMBL7249999 0.86 KDM4E (0.48) ALDH1A1ACHEACKR3KMT2AMEN1
SCHEMBL5225093 0.86 USP2 (0.50) ALDH1A1ACHEACKR3KMT2AMEN1
SCHEMBL7251452 0.85 RAB9A (0.53) ALDH1A1ACKR3KMT2AMEN1MAPT
SCHEMBL5226356 0.85 ALPL (0.40) ALDH1A1ACHEACKR3KMT2APRKAB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605626-B2 Benzamide inhibitors of factor Xa ELI LILLY AND COMPANY 2003-08-12 US disclosed
US-20020120007-A1 Benzamide inhibitors of factor Xa BEIGHT DOUGLAS WADE (US) 2002-08-29 US disclosed
US-6313122-B1 AS INHIBITORS OF FACTOR XA AND ARE USED AS ANTICOAGULANTS IN MAMMALS ELI LILLY AND COMPANY 2001-11-06 US 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-20020120007-A1 Benzamide inhibitors of factor Xa TFPI, F11, F12 ALDH1A1 835/4885ACHE 999/4885ACKR3 3090/4885

“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.