SCHEMBL14664012

SCHEMBL14664012

CCOC(=O)Cc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc([N+](=O)[O-])cc2)o1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MAPT P10636 3/20 0.50
RAB9A P51151 3/20 0.48
GAA P10253 1/20 0.48
NR4A2 P43354 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NR4A1 P22736 1/20 0.46
NR4A3 Q92570 1/20 0.46
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
AR P10275 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
SCHEMBL12491008 0.96 KMT2A (0.61) KMT2AMAPTRAB9AGAANR4A2
SCHEMBL14664061 0.83 NR4A2 (0.51) KMT2ANR4A2SMN1; SMN2ALDH1A1NR4A1
SCHEMBL8557768 0.83 NR4A2 (0.68) KMT2ANR4A2SMN1; SMN2ALDH1A1NR4A1
SCHEMBL7503163 0.79 PTGS2 (0.60) KMT2ANR4A2SMN1; SMN2ALDH1A1NR4A1
SCHEMBL7501153 0.79 PTGS2 (0.60) KMT2ANR4A2SMN1; SMN2ALDH1A1NR4A1
SCHEMBL7500076 0.78 PTGS2 (0.61) NR4A2
SCHEMBL7499580 0.78 NR4A2 (0.55) KMT2ANR4A2SMN1; SMN2ALDH1A1NR4A1
SCHEMBL7501262 0.78 NR4A2 (0.55) KMT2ANR4A2SMN1; SMN2ALDH1A1NR4A1
SCHEMBL7506875 0.77 PTGS2 (0.61) KMT2ANR4A2MEN1
SCHEMBL10596549 0.76 KMT2A (0.54) KMT2AMAPTNR4A2ALDH1A1NR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 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 (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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 KMT2A 3866/4885MAPT 2725/4885RAB9A 1449/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 KMT2A 3866/4885MAPT 2725/4885RAB9A 1449/4885

“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.