SCHEMBL5224176

SCHEMBL5224176

COc1ccc(NC(=O)c2c(C)cccc2[N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
NPC1 O15118 5/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPT P10636 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
ALOX5 P09917 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
POLB P06746 1/20 0.53
LMNA P02545 2/20 0.52
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
GAA P10253 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HSP90AA1 P07900 1/20 0.50
PKM P14618 1/20 0.50
PAX8 Q06710 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TP53 P04637 1/20 0.49
ALOX15 P16050 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
SCHEMBL16583251 0.85 TDP1 (0.65) RAB9ANPC1ALDH1A1MAPTL3MBTL1
SCHEMBL3595597 0.80 HTT (0.70) RAB9ANPC1ALDH1A1MAPTL3MBTL1
SCHEMBL7159826 0.80 MEN1 (0.60) RAB9ANPC1ALDH1A1MAPTL3MBTL1
SCHEMBL5226429 0.80 RAB9A (0.78) RAB9ANPC1ALDH1A1MAPTALOX5
SCHEMBL25219057 0.79 TYK2 (0.66) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL8714517 0.77 MEN1 (0.70) RAB9ANPC1ALDH1A1MAPTL3MBTL1
SCHEMBL16583563 0.77 TDP1 (0.60) RAB9ANPC1ALDH1A1MAPTL3MBTL1
SCHEMBL31155741 0.76 MEN1 (0.60) RAB9ANPC1ALDH1A1MAPTPOLB
SCHEMBL283363 0.76 TDP1 (0.68) ALDH1A1MAPTL3MBTL1TDP1POLB
SCHEMBL2772541 0.76 ALDH1A1 (0.67) RAB9ANPC1ALDH1A1MAPTL3MBTL1

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 RAB9A 2658/4885NPC1 1618/4885ALDH1A1 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.