SCHEMBL3599532

SCHEMBL3599532

COC(=O)c1c(C)sc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.71
MAPK1 P28482 1/20 0.71
L3MBTL1 Q9Y468 4/20 0.58
TDP1 Q9NUW8 2/20 0.58
ATM Q13315 2/20 0.58
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 4/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 2/20 0.55
HSD17B10 Q99714 2/20 0.55
HPGD P15428 2/20 0.55
GLA P06280 1/20 0.55
GAA P10253 1/20 0.55
ALOX15 P16050 1/20 0.55
NR4A2 P43354 2/20 0.49
CNR2 P34972 2/20 0.44
CNR1 P21554 1/20 0.44
GRM6 O15303 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
SCHEMBL3857541 0.83 LMNA (0.54) LMNAMAPK1L3MBTL1TDP1ATM
SCHEMBL3857539 0.83 LMNA (0.54) LMNAMAPK1L3MBTL1TDP1ATM
SCHEMBL18357522 0.83 ALDH1A1 (0.53) LMNAMAPK1L3MBTL1TDP1ALDH1A1
SCHEMBL9495325 0.83 LMNA (1.00) LMNAMAPK1L3MBTL1TDP1ATM
SCHEMBL20464029 0.82 LMNA (0.49) LMNAMAPK1L3MBTL1TDP1ATM
SCHEMBL3192118 0.81 LMNA (0.69) LMNAMAPK1L3MBTL1TDP1ATM
SCHEMBL6656348 0.81 LMNA (0.69) LMNAMAPK1L3MBTL1TDP1ATM
SCHEMBL6654580 0.81 LMNA (0.63) LMNAMAPK1L3MBTL1TDP1ATM
SCHEMBL1398747 0.80 PRNP (0.53) LMNAMAPK1L3MBTL1TDP1ATM
SCHEMBL9556945 0.80 LMNA (0.49) LMNAMAPK1L3MBTL1TDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR SHIONOGI & CO., LTD. (JP) 2017-09-07 US disclosed
US-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR SHIONOGI & CO., LTD. (JP) 2017-09-07 US disclosed
EP-3192794-A1 SUSTAINED HIV PROTEASE INHIBITOR Shionogi & Co., Ltd. (JP) 2017-07-19 EP disclosed
US-8518964-B2 Tricyclic compounds useful as inhibitors of kinases MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
EP-1954290-B1 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES MERCK SHARP & DOHME (US) 2012-07-25 EP disclosed
US-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases MERCK SHARP & DOHME LLC 2010-02-25 US disclosed
EP-1954290-A2 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES Merck & Co., Inc. (US) 2008-08-13 EP disclosed
WO-2007061764-A2 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES MERCK & CO., INC. (US) 2007-05-31 WO disclosed
EP-1603914-B1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LTD (GB) 2007-01-17 EP disclosed
US-20060281786-A1 Compounds having activity at 5ht2c receptor and uses thereof GLAXO GROUP LIMITED (GB) 2006-12-14 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 (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-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases JAK2, JAK3, JAK1 LMNA 2102/4885MAPK1 162/4885L3MBTL1 1699/4885
US-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR CPN1, HAT1, PRSS1 LMNA 4384/4885MAPK1 2703/4885L3MBTL1 1493/4885
US-20060281786-A1 Compounds having activity at 5ht2c receptor and uses thereof HTR2C, HTR4, HTR3C LMNA 2493/4885MAPK1 2781/4885L3MBTL1 1570/4885

“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.