SCHEMBL4803129

SCHEMBL4803129

COc1cc(-c2nc3cc(F)ccc3s2)ccc1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.79
MAPT P10636 5/20 0.70
KDM4E B2RXH2 3/20 0.70
ALDH1A1 P00352 2/20 0.70
HPGD P15428 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
GLA P06280 2/20 0.70
GAA P10253 2/20 0.70
PPARG P37231 1/20 0.70
RAB9A P51151 1/20 0.70
NCOA2 Q15596 1/20 0.70
NCOA1 Q15788 1/20 0.70
TP53 P04637 3/20 0.56
NPC1 O15118 2/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
HCRTR1 O43613 1/20 0.56
MAPK1 P28482 1/20 0.56
BLM P54132 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL4803017 0.90 AHR (0.79) AHRMAPTKDM4EALDH1A1HPGD
SCHEMBL30307425 0.88 AHR (1.00) AHRMAPTKDM4EALDH1A1HPGD
SCHEMBL30288215 0.88 AHR (1.00) AHRMAPTKDM4EALDH1A1HPGD
SCHEMBL4797786 0.88 AHR (1.00) AHRMAPTKDM4EALDH1A1HPGD
SCHEMBL25877004 0.87 AHR (0.70) AHRMAPTKDM4EALDH1A1HPGD
SCHEMBL25876975 0.85 AHR (0.67) AHRMAPTKDM4EALDH1A1HPGD
SCHEMBL15455636 0.85 KDM4E (0.70) AHRMAPTKDM4EALDH1A1HPGD
SCHEMBL4807691 0.84 AHR (0.82) AHRMAPTKDM4EALDH1A1HPGD
SCHEMBL12471638 0.84 KDM4E (0.66) AHRMAPTKDM4EALDH1A1HPGD
SCHEMBL4809936 0.84 AHR (0.60) AHRMAPTKDM4EALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7384966-B2 2-arylbenzothiazole derivatives PHARMINXO LIMITED (GB) 2008-06-10 US disclosed
US-20060063816-A1 2-Arylbenzothiazole derivatives STEVENS MALCOLM F G 2006-03-23 US 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-20060063816-A1 2-Arylbenzothiazole derivatives CX3CR1, HCN2, CYBB AHR 60/4885MAPT 4559/4885KDM4E 4637/4885

“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.