SCHEMBL5227412

SCHEMBL5227412

CC(C)(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.61
CTSL P07711 1/20 0.61
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
MAPT P10636 4/20 0.58
LMNA P02545 2/20 0.58
ALDH1A1 P00352 2/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NR1H4 Q96RI1 7/20 0.55
PPARG P37231 3/20 0.55
PPARA Q07869 2/20 0.55
PPARD Q03181 1/20 0.55
RXFP1 Q9HBX9 1/20 0.52
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL5227077 0.94 MEN1 (0.57) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL5224986 0.86 NR1H4 (0.73) MEN1KMT2ANPC1RAB9ANR1H4
SCHEMBL5306998 0.86 NR1H4 (0.59) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5226947 0.83 NR1H4 (0.55) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5226401 0.81 NR1H4 (0.60) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL19066459 0.81 MEN1 (0.68) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL5224885 0.79 CTSV (0.63) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL5222845 0.79 MAPT (0.63) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL5226509 0.79 NR1H4 (0.57) MEN1KMT2ANPC1RAB9ANR1H4
SCHEMBL5225002 0.77 HTT (0.70) CTSVCTSLMEN1KMT2AMAPT

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 CTSV 601/4885CTSL 237/4885MEN1 1119/4885

“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.