SCHEMBL5758635

SCHEMBL5758635

O=[N+]([O-])c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 14/20 0.71
NPC1 O15118 7/20 0.71
MAPT P10636 6/20 0.71
RAB9A P51151 6/20 0.71
SMN1; SMN2 Q16637 5/20 0.71
HTT P42858 4/20 0.71
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
ALDH1A1 P00352 2/20 0.71
LMNA P02545 2/20 0.71
HPGD P15428 1/20 0.71
MMP2 P08253 4/20 0.66
MMP9 P14780 4/20 0.66
MMP8 P22894 4/20 0.66
MMP13 P45452 3/20 0.66
CASP3 P42574 2/20 0.66
SENP8 Q96LD8 2/20 0.66
SENP7 Q9BQF6 2/20 0.66
SENP6 Q9GZR1 2/20 0.66
NFKB1 P19838 3/20 0.56

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
SCHEMBL3193088 0.92 NPBWR1 (0.80) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL31474755 0.89 NPBWR1 (0.85) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL20982681 0.88 NPC1 (0.73) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL5566197 0.88 NPC1 (0.78) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9032997 0.85 ALDH1A1 (0.62) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL31474746 0.84 NPC1 (0.72) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL6327841 0.84 NPC1 (0.72) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3335014 0.83 ALDH1A1 (0.61) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2250050 0.83 MMP2 (0.80) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL22439772 0.83 NPC1 (0.79) NPBWR1NPC1MAPTRAB9ASMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204652-B1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2006-05-17 EP disclosed
US-6649642-B2 Useful in the treatment of autoimmune and other cathepsin related diseases. BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-11-18 US disclosed
US-20030087939-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-05-08 US disclosed
EP-1204652-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-05-15 EP disclosed
US-20010041700-A1 Novel succinate derivative compounds useful as cysteine protease inhibitors BEKKALI YOUNES (US) 2001-11-15 US disclosed
US-6313117-B1 TREATING AUTOIMMUNE DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-11-06 US disclosed
WO-2001009110-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-02-08 WO disclosed
EP-0511187-B1 Process for the preparation of 1H-benzimidazoles UCB SA (BE) 1996-11-20 EP disclosed
EP-0511187-A1 Process for the preparation of 1H-benzimidazoles U C B, S.A. (BE) 1992-10-28 EP 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 (2 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-20010041700-A1 Novel succinate derivative compounds useful as cysteine protease inhibitors SDHA, LONP1, SUCNR1 NPBWR1 3601/4885NPC1 2336/4885MAPT 4521/4885
US-20030087939-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS SDHA, LONP1, SUCNR1 NPBWR1 3601/4885NPC1 2336/4885MAPT 4521/4885

“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.