SCHEMBL10173064

SCHEMBL10173064

Nc1ccc(-c2cc3ccc([N+](=O)[O-])cc3[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
NPC1 O15118 6/20 0.59
RAB9A P51151 5/20 0.59
NPBWR1 P48145 5/20 0.59
POLB P06746 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
CASP3 P42574 2/20 0.59
SENP8 Q96LD8 2/20 0.59
SENP7 Q9BQF6 2/20 0.59
SENP6 Q9GZR1 2/20 0.59
NFKB1 P19838 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
CYP19A1 P11511 2/20 0.57
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 3/20 0.47
MMP2 P08253 1/20 0.47

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
SCHEMBL19739173 0.88 CYP19A1 (0.74) MAPTNPC1RAB9ANPBWR1POLB
SCHEMBL2244487 0.85 CYP19A1 (0.78) MAPTNPC1RAB9ANPBWR1POLB
SCHEMBL14904717 0.82 CYP19A1 (0.69) MAPTNPC1RAB9ANPBWR1POLB
SCHEMBL10172987 0.82 CYP19A1 (0.65) MAPTNPC1RAB9ANPBWR1POLB
Hydrochloric Acid SCHEMBL4864200 0.81 CYP19A1 (0.63) MAPTNPC1RAB9ANPBWR1POLB
SCHEMBL4867874 0.79 MMP13 (0.59) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL381516 0.79 MEN1 (0.49) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL7514925 0.78 CYP19A1 (0.82) MAPTNPC1RAB9ANPBWR1POLB
SCHEMBL4869950 0.78 CHEK2 (0.56) NPC1POLBCASP3SENP8SENP7
SCHEMBL10173059 0.78 KMT2A (0.53) MAPTNPC1RAB9ASMN1; SMN2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2015-09-03 US disclosed
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2015-09-03 US disclosed
US-9090661-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2015-07-28 US disclosed
US-9090661-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2015-07-28 US disclosed
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2014-12-18 US disclosed
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2014-12-18 US disclosed
US-8871759-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-8871759-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 US disclosed
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 US disclosed
WO-2010111483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2010-09-30 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 (4 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-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 MAPT 4456/4885NPC1 141/4885RAB9A 1863/4885
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 MAPT 4456/4885NPC1 141/4885RAB9A 1863/4885
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 MAPT 4456/4885NPC1 141/4885RAB9A 1863/4885
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 MAPT 4456/4885NPC1 141/4885RAB9A 1863/4885

“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.