SCHEMBL7250955

SCHEMBL7250955

Nc1cccc(N2C(=O)c3ccccc3C2=O)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
GAA P10253 1/20 0.49
POLB P06746 1/20 0.46
HSPA1A P0DMV8 1/20 0.43
PABPC1 P11940 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 2/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
PMP22 Q01453 1/20 0.41

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
SCHEMBL5393362 0.80 DPP4 (0.49) ALDH1A1KDM4EGAAHSPA1APABPC1
SCHEMBL5026395 0.77 RECQL (0.62) ALDH1A1KDM4EGAAPOLBKMT2A
SCHEMBL29562157 0.77 RECQL (0.62) ALDH1A1KDM4EGAAPOLBKMT2A
SCHEMBL13486468 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EGAAPOLBKMT2A
SCHEMBL28396995 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EGAAPOLBHSPA1A
SCHEMBL10082145 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EGAAPOLBKMT2A
SCHEMBL29561558 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EGAAPOLBHSPA1A
SCHEMBL5443297 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EGAAPOLBHSPA1A
SCHEMBL12617582 0.75 ADORA2A (0.43) ALDH1A1KDM4EGAAHSPA1APABPC1
SCHEMBL7059183 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EGAAPOLBKMT2A

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 835/4885KDM4E 2237/4885GAA 77/4885

“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.