SCHEMBL7246263

SCHEMBL7246263

CC(C)(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.61
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
ALDH1A1 P00352 6/20 0.57
MAPT P10636 8/20 0.57
LMNA P02545 4/20 0.57
SETD7 Q8WTS6 1/20 0.57
SMN1; SMN2 Q16637 8/20 0.55
NPC1 O15118 5/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
HTT P42858 3/20 0.55
HPGD P15428 1/20 0.54
PKM P14618 1/20 0.51
P2RX5 Q93086 1/20 0.49
P2RX4 Q99571 1/20 0.49
P2RX7 Q99572 1/20 0.49
P2RX2 Q9UBL9 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL7246999 0.93 RAB9A (0.64) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL5224127 0.84 RAB9A (0.57) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL8712551 0.82 MAPT (0.72) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL9695899 0.82 RAB9A (0.75) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL5228051 0.82 RAB9A (0.70) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL5222845 0.81 MAPT (0.63) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL6170045 0.80 ESR1 (0.54) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL7243929 0.79 MAPT (0.57) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL5225002 0.78 HTT (0.70) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL6171764 0.77 RAB9A (0.53) RAB9AMEN1KMT2AALDH1A1MAPT

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 RAB9A 2658/4885MEN1 1119/4885KMT2A 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.