SCHEMBL8292811

SCHEMBL8292811

Nc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.59
TDP1 Q9NUW8 3/20 0.57
MAPT P10636 3/20 0.57
LMNA P02545 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
ESR2 Q92731 1/20 0.57
HSD17B10 Q99714 1/20 0.57
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
ADH5 P11766 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ALOX12 P18054 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GP6 Q9HCN6 1/20 0.43
RPA1 P27694 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL2157222 0.90 XDH (0.65) XDHTDP1MAPTLMNACYP2C9
SCHEMBL25216798 0.79 XDH (0.59) XDHTDP1MAPTLMNACYP2C9
SCHEMBL3973537 0.77 MAPT (0.69) TDP1MAPTLMNAHSD17B10MEN1
SCHEMBL30955240 0.76 ALDH1A1 (0.67) XDHMAPTADH5ALDH1A1
SCHEMBL25387562 0.76 XDH (0.55) XDHTDP1MAPTLMNACYP2C9
Hydrochloric Acid SCHEMBL2157978 0.76 TDP1 (0.70) XDHTDP1MAPTLMNACYP2C9
SCHEMBL1250484 0.74 XDH (1.00) XDHMEN1KMT2AADH5KDM4E
SCHEMBL1068602 0.73 TDP1 (0.47) TDP1MAPTLMNAMEN1KMT2A
SCHEMBL10321549 0.73 LMNA (0.66) XDHTDP1MAPTLMNACYP2C9
SCHEMBL25239963 0.73 LMNA (0.66) XDHTDP1MAPTLMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 XDH 1699/4885TDP1 926/4885MAPT 2110/4885

“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.