SCHEMBL4581172

SCHEMBL4581172

CSc1ccc(-c2ccc([N+](=O)[O-])c(N)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.51
▸ TDP1 Q9NUW8 4/20 0.51
▸ TSHR P16473 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ALDH1A1 P00352 4/20 0.45
▸ LMNA P02545 2/20 0.45
▸ SIRT6 Q8N6T7 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.41
▸ PDE7A Q13946 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ GSK3B P49841 1/20 0.39
▸ RECQL P46063 2/20 0.39
▸ FBP1 P09467 1/20 0.39
▸ PKM P14618 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
SCHEMBL914291 0.86 TDP1 (0.58) MAPTTDP1TSHRMEN1POLB
SCHEMBL3973537 0.84 MAPT (0.69) MAPTTDP1TSHRMEN1POLB
SCHEMBL6348646 0.84 PDE7A (0.55) MAPTTDP1TSHRMEN1POLB
SCHEMBL11864305 0.80 MAPT (0.56) MAPTTDP1TSHRMEN1KMT2A
SCHEMBL720554 0.80 MAPT (0.58) MAPTTDP1TSHRMEN1POLB
SCHEMBL10714696 0.80 TDP1 (0.63) MAPTTDP1TSHRMEN1POLB
SCHEMBL31570099 0.80 MAPT (0.58) MAPTTDP1TSHRMEN1POLB
SCHEMBL8587439 0.78 MAPT (0.56) MAPTTDP1TSHRMEN1POLB
SCHEMBL20788508 0.78 MAPT (0.56) MAPTTDP1TSHRMEN1POLB
SCHEMBL13735059 0.78 MAPT (0.56) MAPTTDP1TSHRMEN1POLB

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-2007720-B1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2013-12-25 — — EP disclosed
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 — — US disclosed
EP-2007720-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-12-31 — — EP disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 — — US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 — — US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 — — US disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 — — WO disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 — — 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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 MAPT 2110/4885TDP1 926/4885TSHR 3869/4885

“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.

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