SCHEMBL25932256

SCHEMBL25932256

Cc1cc([N+](=O)[O-])c(N)cc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.51
ALDH1A1 P00352 5/20 0.51
TSHR P16473 3/20 0.49
HSP90AA1 P07900 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
HSD17B10 Q99714 1/20 0.46
HPRT1 P00492 1/20 0.45
CYP3A4 P08684 3/20 0.45
RECQL P46063 1/20 0.45
MAPK1 P28482 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE3B Q13370 1/20 0.44

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
SCHEMBL5951526 0.94 TDP1 (0.51) TDP1ALDH1A1TSHRHSP90AA1CDK5
SCHEMBL10713235 0.86 TDP1 (0.58) TDP1ALDH1A1TSHRHSP90AA1CDK5
SCHEMBL7657590 0.86 TDP1 (0.58) TDP1ALDH1A1TSHRHSP90AA1CDK5
SCHEMBL10535570 0.82 TDP1 (0.53) TDP1ALDH1A1TSHRHSP90AA1CDK5
SCHEMBL6571872 0.81 ALDH1A1 (0.51) TDP1ALDH1A1TSHRHSP90AA1CDK5
SCHEMBL15940087 0.81 ALDH1A1 (0.51) TDP1ALDH1A1TSHRMEN1MAPT
SCHEMBL7653302 0.80 TDP1 (0.50) TDP1ALDH1A1TSHRHSP90AA1CDK5
SCHEMBL28021831 0.78 ALDH1A1 (0.56) TDP1ALDH1A1TSHRMEN1MAPT
SCHEMBL10589548 0.77 ALDH1A1 (0.51) TDP1ALDH1A1TSHRMEN1MAPT
SCHEMBL30532395 0.77 ALDH1A1 (0.51) TDP1ALDH1A1TSHRMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS VALO HEALTH, INC. 2023-08-03 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-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 TDP1 889/4885ALDH1A1 1133/4885TSHR 3102/4885

“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.