SCHEMBL5080315

SCHEMBL5080315

COc1cccc2sc(-c3ccc(N)cc3Cl)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
TDP1 Q9NUW8 3/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 4/20 0.48
GAA P10253 2/20 0.48
F2RL3 Q96RI0 2/20 0.44
TP53 P04637 4/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 2/20 0.41
THRB P10828 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 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
SCHEMBL4729424 0.81 F2RL3 (0.43) ALDH1A1TDP1CYP3A4MAPTMEN1
SCHEMBL4727735 0.80 ALDH1A1 (0.49) ALDH1A1TDP1CYP3A4MAPTMEN1
SCHEMBL1983852 0.79 CYP3A4 (0.63) ALDH1A1TDP1CYP3A4MAPTMEN1
SCHEMBL2002706 0.75 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4MAPTMEN1
SCHEMBL1977551 0.74 MAPT (0.65) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL4729268 0.73 DYRK1A (0.56) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL4730485 0.73 APP (0.66) CYP3A4GAAGLA
SCHEMBL2000543 0.72 ALDH1A1 (1.00) ALDH1A1TDP1CYP3A4MAPTMEN1
SCHEMBL624781 0.72 TDP1 (1.00) ALDH1A1TDP1CYP3A4MAPTMEN1
SCHEMBL1983245 0.71 MEN1 (0.70) ALDH1A1TDP1MAPTMEN1KMT2A

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 8 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
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 2348/4885TDP1 90/4885CYP3A4 4801/4885

“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.