SCHEMBL9953045

SCHEMBL9953045

COC(=O)c1c(-c2ccccc2)oc2cc([N+](=O)[O-])ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.53
ATM Q13315 1/20 0.53
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 7/20 0.46
GAA P10253 3/20 0.46
HPGD P15428 4/20 0.45
KDM4E B2RXH2 3/20 0.45
SLC6A4 P31645 1/20 0.45
F2 P00734 1/20 0.44
PLAU P00749 1/20 0.44
KLKB1 P03952 1/20 0.44
ELANE P08246 1/20 0.44
CTRB1 P17538 1/20 0.44
PRNP P04156 1/20 0.44
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL9953225 0.80 L3MBTL1 (0.57) L3MBTL1ATMMEN1KMT2AALDH1A1
SCHEMBL2402202 0.77 ALOX5 (0.48) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL9952445 0.76 KMT2A (0.57) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL28158551 0.76 KMT2A (0.57) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL27841636 0.76 MEN1 (0.45) MEN1KMT2AMAPTKDM4ERAB9A
SCHEMBL15455900 0.75 MAPT (0.53) L3MBTL1ATMMEN1KMT2AMAPT
SCHEMBL9486748 0.74 L3MBTL1 (0.63) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL3546601 0.74 KDM4E (0.66) L3MBTL1ATMMEN1KMT2AMAPT
SCHEMBL4252102 0.73 KDM4E (0.64) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL9485913 0.71 HTT (0.58) L3MBTL1MEN1KMT2AALDH1A1GAA

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-9567355-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2017-02-14 US disclosed
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-12-08 US disclosed
US-9453007-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2016-09-27 US disclosed
US-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-01-07 US disclosed
US-9173887-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2015-11-03 US disclosed
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. (US) 2014-02-06 US disclosed
EP-2655362-A1 HEPATITIS C INHIBITORS AND USES THEREOF Abbvie Inc. (US) 2013-10-30 EP disclosed
WO-2012087833-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-06-28 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 (3 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-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 L3MBTL1 3299/4885ATM 4535/4885MEN1 4246/4885
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 L3MBTL1 3299/4885ATM 4535/4885MEN1 4246/4885
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 L3MBTL1 3299/4885ATM 4535/4885MEN1 4246/4885

“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.