SCHEMBL15522962

SCHEMBL15522962

Nc1cc(-c2ccccc2F)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 2/20 0.47
MAPT P10636 4/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PTPRC P08575 1/20 0.45
PTPN1 P18031 1/20 0.45
HSP90AA1 P07900 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
BACE1 P56817 1/20 0.43
ALDH1A1 P00352 3/20 0.42
ATM Q13315 1/20 0.42
MAP4K4 O95819 1/20 0.41
LMNA P02545 2/20 0.41
ACMSD Q8TDX5 1/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40

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
SCHEMBL29655215 1.00 TDP1 (0.50) TDP1TSHRMAPK1MAPTPOLB
SCHEMBL719169 0.88 TDP1 (0.64) TDP1TSHRMAPTPOLBMEN1
SCHEMBL29655079 0.88 TDP1 (0.64) TDP1TSHRMAPTPOLBMEN1
SCHEMBL27539548 0.85 PTPRC (0.49) TDP1TSHRMAPK1MAPTPOLB
SCHEMBL6320483 0.82 ALDH1A1 (0.53) TDP1MAPK1MAPTPOLBMEN1
SCHEMBL28815846 0.81 MAPT (0.44) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL29655194 0.81 BACE1 (0.47) TDP1TSHRMAPK1MAPTPOLB
SCHEMBL3973537 0.79 MAPT (0.69) TDP1TSHRMAPK1MAPTPOLB
SCHEMBL2994172 0.79 ERN1 (0.46) TDP1PTPRCPTPN1ALDH1A1ATM
SCHEMBL31570099 0.78 MAPT (0.58) TDP1TSHRMAPK1MAPTPOLB

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-9447030-B2 Inhibitors of histone deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-09-20 US disclosed
US-20140080800-A1 Inhibitors of Histone Deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2014-03-20 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-20140080800-A1 Inhibitors of Histone Deacetylase HDAC2, HDAC1, HDAC11 TDP1 638/4885TSHR 3090/4885MAPK1 1968/4885

“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.