SCHEMBL4727735

SCHEMBL4727735

COc1cccc2sc(-c3ccc([N+](=O)[O-])cc3Cl)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPT P10636 10/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 4/20 0.47
HPGD P15428 3/20 0.47
CYP3A4 P08684 2/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
AMY1A P0DUB6 1/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TDP1 Q9NUW8 1/20 0.43
GAA P10253 2/20 0.43
PKM P14618 1/20 0.43
F2RL3 Q96RI0 1/20 0.41

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
SCHEMBL4728430 0.83 AMY1A (0.48) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL12422442 0.81 APP (0.58) ALDH1A1MAPTLMNACYP3A4RAB9A
SCHEMBL5080315 0.80 ALDH1A1 (0.55) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL8994212 0.79 APP (0.48) ALDH1A1MAPTLMNAHPGDAMY1A
SCHEMBL4784061 0.77 MMP13 (0.63) ALDH1A1MAPTSMN1; SMN2CYP3A4NPC1
SCHEMBL5086604 0.76 APP (0.56) MAPTSMN1; SMN2AMY1AGAAHTT
SCHEMBL1984479 0.74 MAPT (0.62) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL14744341 0.74 MAPT (0.60) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL8405261 0.73 APP (0.60) ALDH1A1MAPTSMN1; SMN2LMNANPC1
SCHEMBL3201601 0.72 MEN1 (0.52) ALDH1A1MAPTSMN1; SMN2LMNANPC1

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-0721336-B1 BENZAZOLE COMPOUNDS FOR USE IN THERAPY CANCER RES CAMPAIGN TECH (GB) 1999-07-14 EP claimed
EP-0721336-A1 BENZAZOLE COMPOUNDS FOR USE IN THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-07-17 EP claimed
WO-1995006469-A1 BENZAZOLE COMPOUNDS FOR USE IN THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1995-03-09 WO claimed
WO-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
EP-0721336-B1 BENZAZOLE COMPOUNDS FOR USE IN THERAPY CANCER RES CAMPAIGN TECH (GB) 1999-07-14 EP disclosed
US-5874431-A ANTITUMOR AGENTS; BREAST CANCER CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-02-23 US disclosed
EP-0721336-A1 BENZAZOLE COMPOUNDS FOR USE IN THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-07-17 EP disclosed
WO-1995006469-A1 BENZAZOLE COMPOUNDS FOR USE IN THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1995-03-09 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-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN ALDH1A1 2348/4885MAPT 9/4885SMN1; SMN2 11/4885

“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.