SCHEMBL5221779

SCHEMBL5221779

COc1ccc(NC(=O)c2cccc(OC)c2[N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
ALDH1A1 P00352 4/20 0.61
LMNA P02545 1/20 0.61
MEN1 O00255 8/20 0.60
KMT2A Q03164 8/20 0.60
NPC1 O15118 6/20 0.60
MAPT P10636 4/20 0.60
HSP90AA1 P07900 1/20 0.60
PKM P14618 1/20 0.60
PAX8 Q06710 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
GAA P10253 1/20 0.57
ALOX5 P09917 1/20 0.55
METAP2 P50579 1/20 0.54
MAPK1 P28482 2/20 0.54
AHR P35869 1/20 0.54
TP53 P04637 1/20 0.54
HTT P42858 1/20 0.54
HPGD P15428 1/20 0.54

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
SCHEMBL5399364 0.88 MEN1 (0.66) RAB9ASMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL6591553 0.88 MEN1 (0.59) RAB9ASMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL14345211 0.88 ALDH1A1 (0.59) RAB9ASMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL5226429 0.88 RAB9A (0.78) RAB9ASMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL4501203 0.85 MEN1 (0.56) RAB9ASMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL5222613 0.82 MEN1 (0.63) RAB9ASMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL3949532 0.82 KMT2A (0.78) RAB9ASMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL3595597 0.81 HTT (0.70) RAB9ASMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL7159826 0.81 MEN1 (0.60) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL11592283 0.80 HPGD (0.56) RAB9ASMN1; SMN2ALDH1A1LMNAMEN1

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 2658/4885SMN1; SMN2 2752/4885ALDH1A1 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.