SCHEMBL9953225

SCHEMBL9953225

COC(=O)c1c(-c2ccccc2)oc2cc(N)ccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.57
ATM Q13315 3/20 0.57
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 4/20 0.49
HSD17B10 Q99714 2/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
PRNP P04156 1/20 0.47
RAB9A P51151 1/20 0.47
PTGS1 P23219 1/20 0.46
ABCB1 P08183 1/20 0.46
PTGS2 P35354 2/20 0.45
NPC1 O15118 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
USP2 O75604 1/20 0.44
CFTR P13569 1/20 0.44

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
SCHEMBL9953045 0.80 L3MBTL1 (0.53) L3MBTL1ATMMEN1KMT2AGAA
SCHEMBL15455900 0.79 MAPT (0.53) L3MBTL1ATMMEN1KMT2AGAA
SCHEMBL3546601 0.77 KDM4E (0.66) L3MBTL1ATMMEN1KMT2AGAA
SCHEMBL11881383 0.75 MAPT (0.53) L3MBTL1ATMMEN1KMT2AGAA
SCHEMBL2402733 0.74 ALOX5 (0.52) L3MBTL1MEN1KMT2AGAAKDM4E
SCHEMBL28923534 0.74 L3MBTL1 (0.78) L3MBTL1ATMMEN1KMT2AGAA
SCHEMBL3541328 0.73 MEN1 (0.56) L3MBTL1ATMMEN1KMT2AGAA
SCHEMBL15897189 0.73 L3MBTL1 (0.76) L3MBTL1ATMMEN1KMT2AGAA
SCHEMBL12337717 0.73 ANO1 (0.47) ATMMEN1KMT2AGAAKDM4E
SCHEMBL10888759 0.73 CYP3A4 (0.57) MEN1KMT2AKDM4EALDH1A1HPGD

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.