SCHEMBL5225002

SCHEMBL5225002

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.70
HPGD P15428 1/20 0.70
KCNK2 O95069 1/20 0.68
KCNK10 P57789 1/20 0.68
SERPINE1 P05121 1/20 0.65
AKR1C4 P17516 1/20 0.65
AKR1C3 P42330 1/20 0.65
AKR1C2 P52895 1/20 0.65
AKR1C1 Q04828 1/20 0.65
KMT2A Q03164 5/20 0.60
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
MAPT P10636 3/20 0.60
ALDH1A1 P00352 3/20 0.60
MEN1 O00255 3/20 0.60
LMNA P02545 2/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60

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
SCHEMBL7301496 0.85 HTT (0.73) HTTHPGDKCNK2KCNK10KMT2A
SCHEMBL7294073 0.85 HTT (0.81) HTTHPGDKMT2ANPC1RAB9A
SCHEMBL7301422 0.85 HTT (0.73) HTTHPGDKMT2ANPC1RAB9A
SCHEMBL7301504 0.84 HTT (0.71) HTTHPGDKCNK2KCNK10KMT2A
SCHEMBL7301679 0.84 HTT (0.71) HTTHPGDSERPINE1KMT2ANPC1
SCHEMBL6109346 0.83 SERPINE1 (0.77) HTTSERPINE1AKR1C3AKR1C2KMT2A
SCHEMBL5376613 0.82 HTT (0.77) HTTHPGDKMT2ANPC1RAB9A
SCHEMBL7300516 0.82 HTT (1.00) HTTHPGDKMT2ANPC1RAB9A
SCHEMBL14075220 0.82 MEN1 (0.71) HTTKCNK2KCNK10AKR1C4AKR1C3
SCHEMBL7294831 0.81 HTT (0.68) HTTHPGDKMT2ANPC1RAB9A

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 HTT 3857/4885HPGD 927/4885KCNK2 2189/4885

“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.