SCHEMBL7249999

SCHEMBL7249999

COc1ccc(C(=O)c2cccc(N)c2NC(=O)C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ACHE P22303 4/20 0.45
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ACKR3 P25106 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
ABCC1 P33527 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL5227303 0.88 CYP2D6 (0.49) KDM4EALDH1A1KMT2AMEN1ACHE
SCHEMBL7243729 0.86 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1ACHEACKR3
SCHEMBL5223734 0.85 CHRM4 (0.51) KMT2AMEN1ACHESMN1; SMN2ACKR3
SCHEMBL5226356 0.84 ALPL (0.40) KDM4EALDH1A1KMT2AACHECYP3A4
SCHEMBL5224150 0.82 ACHE (0.46) KDM4EALDH1A1KMT2AMEN1ACHE
SCHEMBL7243422 0.82 ACKR3 (0.49) KDM4EKMT2AMEN1ACHECYP3A4
SCHEMBL5228580 0.82 ACKR3 (0.44) KDM4EALDH1A1KMT2AMEN1ACHE
SCHEMBL7244579 0.81 KMT2A (0.47) KDM4EALDH1A1KMT2AACHECYP3A4
SCHEMBL5225392 0.81 ALDH1A1 (0.50) KDM4EALDH1A1KMT2AMEN1ACHE
SCHEMBL7246833 0.81 ACKR3 (0.48) KMT2AMEN1ACHEACKR3

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 KDM4E 2237/4885ALDH1A1 835/4885KMT2A 2083/4885

“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.