SCHEMBL4801945

SCHEMBL4801945

COCOc1ccc(-c2nc3cc(F)ccc3s2)cc1OC

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.80
F2RL3 Q96RI0 1/20 0.47
MAPT P10636 5/20 0.46
TP53 P04637 3/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GLA P06280 2/20 0.46
NPC1 O15118 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
PPARG P37231 1/20 0.46
RAB9A P51151 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
MEN1 O00255 1/20 0.46
HCRTR1 O43613 1/20 0.46
MAPK1 P28482 1/20 0.46
BLM P54132 1/20 0.46

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
SCHEMBL30288215 0.89 AHR (1.00) AHRF2RL3MAPTTP53KDM4E
SCHEMBL4797786 0.89 AHR (1.00) AHRF2RL3MAPTTP53KDM4E
SCHEMBL30307425 0.89 AHR (1.00) AHRF2RL3MAPTTP53KDM4E
SCHEMBL4806244 0.85 AHR (0.81) AHRF2RL3MAPTTP53KDM4E
SCHEMBL4804933 0.83 AHR (0.70) AHRMAPTKDM4ESMN1; SMN2GLA
SCHEMBL4807691 0.83 AHR (0.82) AHRF2RL3MAPTTP53KDM4E
SCHEMBL4797737 0.82 AHR (0.81) AHRF2RL3MAPTTP53KDM4E
SCHEMBL4799058 0.81 AHR (0.74) AHRF2RL3MAPTTP53KDM4E
SCHEMBL4803129 0.81 AHR (0.79) AHRF2RL3MAPTTP53KDM4E
SCHEMBL4803066 0.81 AHR (0.79) AHRF2RL3MAPTTP53KDM4E

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 60/4885F2RL3 3432/4885MAPT 4559/4885

“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.