SCHEMBL17722017

SCHEMBL17722017

Cc1cc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1Br

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL14740771 0.89 RECQL (0.53) RECQLHTTRAB9AMEN1KMT2A
SCHEMBL7144170 0.84 RECQL (0.43) RECQLHTTRAB9AMEN1KMT2A
SCHEMBL5563257 0.84 RECQL (0.43) RECQLHTTRAB9AMEN1KMT2A
SCHEMBL31217344 0.82 RECQL (0.43) RECQLHTTRAB9AMEN1KMT2A
SCHEMBL31554175 0.82 PDGFRB (0.52) RECQLHTTMEN1KMT2AMAPT
SCHEMBL5557383 0.82 LMNA (0.43) RECQLHTTMAPTTP53SMN1; SMN2
SCHEMBL12072957 0.82 LCK (0.41) HTTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5557182 0.82 RECQL (0.43) RECQLHTTRAB9AMEN1KMT2A
SCHEMBL28355220 0.81 AAK1 (0.41) HTTRAB9AMEN1KMT2AMAPT
SCHEMBL5953011 0.80 MAPT (0.51) RECQLHTTRAB9AMEN1KMT2A

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-20160122340-A1 HISTONE DEACETYLASE INHIBITORS BASED ON DERIVATIVES OF TRICYCLIC POLYHYDROACRIDINE AND ANALOGS POSSESSING FUSED SATURATED FIVE-AND-SEVEN-MEMBERED RINGS QUIMATRYX S L (ES) 2016-05-05 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-20160122340-A1 HISTONE DEACETYLASE INHIBITORS BASED ON DERIVATIVES OF TRICYCLIC POLYHYDROACRIDINE AND ANALOGS POSSESSING FUSED SATURATED FIVE-AND-SEVEN-MEMBERED RINGS HDAC5, HDAC1, HDAC7 RECQL 676/4885HTT 249/4885RAB9A 2471/4885

“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.