SCHEMBL5226429

SCHEMBL5226429

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

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.78
SMN1; SMN2 Q16637 2/20 0.78
MEN1 O00255 5/20 0.77
KMT2A Q03164 5/20 0.77
ALDH1A1 P00352 4/20 0.77
LMNA P02545 2/20 0.69
MAPT P10636 4/20 0.69
HPGD P15428 4/20 0.69
MAPK1 P28482 1/20 0.69
NPC1 O15118 4/20 0.67
HSP90AA1 P07900 1/20 0.59
PKM P14618 1/20 0.59
PAX8 Q06710 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HSPD1 P10809 1/20 0.59
HSPE1 P61604 1/20 0.59
POLB P06746 1/20 0.58
ALOX5 P09917 1/20 0.54
METAP2 P50579 1/20 0.53

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
SCHEMBL5221779 0.88 RAB9A (0.65) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5399364 0.87 MEN1 (0.66) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3595597 0.83 HTT (0.70) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10062017 0.81 NPC1 (1.00) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11747852 0.80 MEN1 (0.69) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7159826 0.80 MEN1 (0.60) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5224176 0.80 RAB9A (0.57) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11750549 0.79 ALDH1A1 (0.65) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5225897 0.79 NPC1 (0.74) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL14345211 0.77 ALDH1A1 (0.59) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1

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 2752/4885MEN1 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.