SCHEMBL5761334

SCHEMBL5761334

Nc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.68
MAPT P10636 11/20 0.68
SMN1; SMN2 Q16637 11/20 0.68
HPGD P15428 11/20 0.68
NPC1 O15118 11/20 0.68
KDM4E B2RXH2 10/20 0.68
MEN1 O00255 10/20 0.68
KMT2A Q03164 10/20 0.68
RAB9A P51151 9/20 0.68
TP53 P04637 7/20 0.68
GAA P10253 7/20 0.68
HSD17B10 Q99714 6/20 0.68
NFKB1 P19838 3/20 0.68
NFKB2 Q00653 2/20 0.68
RELA Q04206 2/20 0.68
APP P05067 1/20 0.68
SNCA P37840 1/20 0.68
MCL1 Q07820 1/20 0.68
POLB P06746 6/20 0.61
GFER P55789 4/20 0.61

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
SCHEMBL9032997 0.92 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2HPGDNPC1
SCHEMBL2246334 0.90 ALDH1A1 (0.77) ALDH1A1MAPTSMN1; SMN2HPGDNPC1
SCHEMBL3335014 0.90 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2HPGDNPC1
Hydrochloric Acid SCHEMBL3199354 0.89 ALDH1A1 (0.75) ALDH1A1MAPTSMN1; SMN2HPGDNPC1
SCHEMBL27202473 0.87 ALDH1A1 (0.82) ALDH1A1MAPTSMN1; SMN2HPGDNPC1
SCHEMBL159873 0.86 ALDH1A1 (0.74) ALDH1A1MAPTSMN1; SMN2HPGDNPC1
SCHEMBL28312335 0.86 ALDH1A1 (0.74) ALDH1A1MAPTSMN1; SMN2HPGDNPC1
SCHEMBL9862039 0.86 ALDH1A1 (0.69) ALDH1A1MAPTSMN1; SMN2HPGDNPC1
SCHEMBL30307784 0.86 ALDH1A1 (0.74) ALDH1A1MAPTSMN1; SMN2HPGDNPC1
SCHEMBL30533210 0.84 MEN1 (0.73) ALDH1A1MAPTSMN1; SMN2HPGDNPC1

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 7 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

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 ALDH1A1 586/4885MAPT 4521/4885SMN1; SMN2 3942/4885
US-20030087939-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS SDHA, LONP1, SUCNR1 ALDH1A1 586/4885MAPT 4521/4885SMN1; SMN2 3942/4885

“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.