SCHEMBL4729424

SCHEMBL4729424

COc1cccc2nc(-c3ccc(N)cc3Cl)sc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 4/20 0.42
TP53 P04637 2/20 0.42
THRB P10828 2/20 0.42
GAA P10253 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HCRTR1 O43613 1/20 0.42
GLA P06280 1/20 0.42
NQO2 P16083 1/20 0.42
POLB P06746 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
APP P05067 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL5080315 0.81 ALDH1A1 (0.55) F2RL3SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4728430 0.80 AMY1A (0.48) F2RL3SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11972713 0.78 APP (0.54) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL1977551 0.75 MAPT (0.65) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL4730485 0.74 APP (0.66) GAAGLAAPPCYP3A4
SCHEMBL4729268 0.74 DYRK1A (0.56) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL1983245 0.72 MEN1 (0.70) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL8994212 0.72 APP (0.48) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL21794446 0.71 MAPT (0.43) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL2749006 0.71 ALDH1A1 (0.58) SMN1; SMN2MEN1KMT2AALDH1A1NPC1

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 F2RL3 4556/4885SMN1; SMN2 11/4885MEN1 3687/4885

“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.