SCHEMBL4780914

SCHEMBL4780914

CS(=O)(=O)O.Nc1ccc(-c2nc3ccccc3s2)cc1

nearest known ligand 0.77

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.77
MMP9 P14780 1/20 0.77
MMP8 P22894 1/20 0.77
TP53 P04637 3/20 0.67
RAB9A P51151 9/20 0.59
NPC1 O15118 8/20 0.59
MAPT P10636 7/20 0.59
KDM4E B2RXH2 7/20 0.59
GAA P10253 6/20 0.59
GLA P06280 5/20 0.59
ALDH1A1 P00352 4/20 0.59
LMNA P02545 1/20 0.59
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
PAX8 Q06710 1/20 0.58
NOD2 Q9HC29 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
CYP3A4 P08684 1/20 0.55
HPGD P15428 1/20 0.55

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
SCHEMBL872727 0.88 APP (1.00) APPMMP9MMP8RAB9ANPC1
2-Phenylbenzo[D]Thiazole SCHEMBL12479300 0.85 APP (0.93) APPMMP9MMP8RAB9ANPC1
Hydrochloric Acid SCHEMBL6283670 0.81 APP (0.69) APPMMP9MMP8TP53RAB9A
SCHEMBL13853339 0.81 APP (1.00) APPMMP9MMP8TP53RAB9A
SCHEMBL7109998 0.80 TP53 (0.75) APPMMP9MMP8TP53RAB9A
SCHEMBL366824 0.79 RAB9A (0.81) APPMMP9MMP8TP53RAB9A
SCHEMBL29474819 0.79 RAB9A (0.81) APPMMP9MMP8TP53RAB9A
SCHEMBL12727647 0.79 MMP9 (0.81) APPMMP9MMP8TP53RAB9A
2-Phenylbenzo[D]Thiazole SCHEMBL10820979 0.79 RAB9A (0.61) APPMMP9MMP8TP53RAB9A
Ammonia Solution, Strong SCHEMBL7106619 0.79 TP53 (0.73) APPMMP9MMP8TP53RAB9A

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 APP 24/4885MMP9 1535/4885MMP8 1349/4885

“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.