SCHEMBL8293254

SCHEMBL8293254

COc1ccc(C(=O)Nc2cc(Br)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
MAPK1 P28482 1/20 0.59
PKM P14618 1/20 0.57
ABCB1 P08183 2/20 0.56
ABCC1 P33527 2/20 0.56
LMNA P02545 2/20 0.55
GPR35 Q9HC97 2/20 0.55
F10 P00742 2/20 0.53
KMT2A Q03164 4/20 0.52
GAA P10253 2/20 0.52
TP53 P04637 1/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
ALOX5 P09917 1/20 0.50

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
SCHEMBL28496401 0.83 HCAR3 (0.60) MAPTSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL1066697 0.82 ABCB1 (0.60) MAPTSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL6541728 0.82 SMN1; SMN2 (0.72) MAPTSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL4581161 0.79 ABCB1 (0.57) MAPTSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL1066943 0.79 HDAC1 (0.67) MAPTSMN1; SMN2NPC1RAB9AGPR35
SCHEMBL14247245 0.79 MAPT (0.61) MAPTSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL1067526 0.78 MAPT (0.49) MAPTSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL1066863 0.78 HDAC1 (0.61) MAPTMAPK1ABCB1ABCC1LMNA
SCHEMBL1663559 0.78 ALOX5 (0.64) MAPTSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL4579515 0.78 ABCB1 (0.55) MAPTSMN1; SMN2NPC1RAB9AMAPK1

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 7 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-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-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 (2 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 MAPT 2110/4885SMN1; SMN2 3671/4885NPC1 1197/4885
US-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 MAPT 2110/4885SMN1; SMN2 3671/4885NPC1 1197/4885

“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.