SCHEMBL5222318

SCHEMBL5222318

CC(C)(C)c1ccc(C(=O)Nc2c(N)cccc2C(=O)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.60
RAB9A P51151 7/20 0.60
ALDH1A1 P00352 6/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
MAPT P10636 4/20 0.60
LMNA P02545 3/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
HTT P42858 2/20 0.51
HPGD P15428 2/20 0.51
XBP1 P17861 1/20 0.50
HDAC2 Q92769 1/20 0.47
MAPK1 P28482 2/20 0.46
GAA P10253 1/20 0.46
THRA P10827 1/20 0.45
HDAC1 Q13547 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL5225558 0.90 NPC1 (0.55) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL5225109 0.87 MAPT (0.61) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL5226616 0.85 KCNK9 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL5226258 0.85 KCNK9 (0.49) SMN1; SMN2KMT2AMEN1HDAC2HDAC1
SCHEMBL5222596 0.84 KCNK9 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL5225279 0.83 ALDH1A1 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL5228003 0.81 EPHX2 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL5222980 0.81 TP53 (0.63) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL6771888 0.81 KCNK9 (0.45) SMN1; SMN2KMT2AMEN1HDAC1KCNK9
SCHEMBL5223651 0.80 NR1H4 (0.56) SMN1; SMN2MAPTHDAC1KCNK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
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
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 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-20020120007-A1 Benzamide inhibitors of factor Xa TFPI, F11, F12 NPC1 1618/4885RAB9A 2658/4885ALDH1A1 835/4885

“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.