SCHEMBL5673147

SCHEMBL5673147

CS(=O)(=O)c1ccc(-c2ccc(N)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.71
MAPT P10636 3/20 0.71
MEN1 O00255 2/20 0.71
POLB P06746 2/20 0.71
KMT2A Q03164 2/20 0.71
ALDH1A1 P00352 2/20 0.60
PKM P14618 1/20 0.60
ERN1 O75460 1/20 0.55
TSHR P16473 1/20 0.53
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
PTGS2 P35354 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
FFAR4 Q5NUL3 1/20 0.47
LMNA P02545 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45

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
SCHEMBL913390 0.86 ALDH1A1 (0.68) TDP1MAPTMEN1POLBKMT2A
SCHEMBL29409289 0.84 MAPT (1.00) TDP1MAPTMEN1POLBKMT2A
SCHEMBL737722 0.84 MAPT (1.00) TDP1MAPTMEN1POLBKMT2A
SCHEMBL5952772 0.81 TDP1 (0.79) TDP1MAPTMEN1POLBKMT2A
SCHEMBL3178960 0.81 MAPT (0.85) TDP1MAPTMEN1POLBKMT2A
SCHEMBL30581227 0.81 MAPT (0.85) TDP1MAPTMEN1POLBKMT2A
SCHEMBL10714493 0.81 TDP1 (0.85) TDP1MAPTMEN1POLBKMT2A
SCHEMBL9649469 0.81 TDP1 (0.85) TDP1MAPTMEN1POLBKMT2A
Hydrochloric Acid SCHEMBL3973011 0.81 MAPT (0.92) TDP1MAPTMEN1POLBKMT2A
Hydrochloric Acid SCHEMBL3973012 0.81 MAPT (0.92) TDP1MAPTMEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135493-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-11-14 US disclosed
US-20040229889-A1 HDAC inhibitor FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 US disclosed
WO-2004063169-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-07-29 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-20040229889-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 TDP1 2228/4885MAPT 3618/4885MEN1 2199/4885

“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.