SCHEMBL3104424

SCHEMBL3104424

Cc1ccc(F)c(C(C)Oc2ccc([N+](=O)[O-])cc2)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 3/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 3/20 0.39
HTR2A P28223 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ACHE P22303 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
RRM1 P23921 1/20 0.37
RRM2B Q7LG56 1/20 0.37
GAA P10253 2/20 0.36

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
SCHEMBL3094219 0.90 HSPB1 (0.45) HSPB1MEN1KMT2AHTTMAPT
SCHEMBL3102498 0.87 HSPB1 (0.40) HSPB1MEN1KMT2AHTTMAPT
SCHEMBL3104563 0.86 HSPB1 (0.42) HSPB1MEN1KMT2AHTTMAPT
SCHEMBL3099307 0.80 HSPB1 (0.41) HSPB1MEN1KMT2AHTTMAPT
SCHEMBL3099359 0.79 TEAD4 (0.34) MAPTLMNAALDH1A1TSHRTDP1
SCHEMBL3109670 0.77 MET (0.50)
SCHEMBL28784762 0.76 ACHE (0.45) HSPB1MEN1KMT2AHTTMAPT
SCHEMBL3655142 0.74 HSPB1 (0.43) HSPB1MEN1KMT2AHTTMAPT
SCHEMBL3655145 0.74 HSPB1 (0.52) HSPB1MEN1KMT2AHTTMAPT
Methyl Alcohol SCHEMBL27791093 0.74 ACHE (0.42) HSPB1MEN1KMT2AHTTMAPT

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-8188078-B2 6-aryl/heteroalkyloxy benzothiazole and benzimidazole derivatives, method for preparing same, application thereof as drugs, pharmaceutical compositions and novel use in particular as C-MET inhibitors SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-20100273793-A1 6-ARYL/HETEROALKYLOXY BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, APPLICATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS c-MET INHIBITORS SANOFI-AVENTIS (FR) 2010-10-28 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-20100273793-A1 6-ARYL/HETEROALKYLOXY BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, APPLICATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS c-MET INHIBITORS MET, ALK, JAK2 HSPB1 3222/4885MEN1 842/4885KMT2A 959/4885

“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.