SCHEMBL6656348

SCHEMBL6656348

COC(=O)c1c(N)sc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.69
MAPK1 P28482 1/20 0.69
MEN1 O00255 4/20 0.62
ALDH1A1 P00352 4/20 0.62
KMT2A Q03164 4/20 0.62
MAPT P10636 3/20 0.62
HPGD P15428 3/20 0.62
ATM Q13315 2/20 0.62
GAA P10253 2/20 0.62
KDM4E B2RXH2 2/20 0.62
HSD17B10 Q99714 2/20 0.62
GLA P06280 1/20 0.62
ALOX15 P16050 1/20 0.62
L3MBTL1 Q9Y468 3/20 0.61
TDP1 Q9NUW8 2/20 0.61
NPC1 O15118 1/20 0.55
GRM6 O15303 1/20 0.54
GRM5 P41594 1/20 0.54
POLB P06746 1/20 0.50
CNR2 P34972 4/20 0.49

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
SCHEMBL2307828 0.83 MAPT (0.60) LMNAMAPK1MEN1ALDH1A1KMT2A
SCHEMBL9495325 0.81 LMNA (1.00) LMNAMAPK1MEN1ALDH1A1KMT2A
SCHEMBL3599532 0.81 LMNA (0.71) LMNAMAPK1MEN1ALDH1A1KMT2A
SCHEMBL3192118 0.80 LMNA (0.69) LMNAMAPK1MEN1ALDH1A1KMT2A
SCHEMBL6991094 0.80 CISD2 (0.51) LMNAMAPK1MEN1ALDH1A1KMT2A
SCHEMBL2206020 0.79 MCL1 (0.49) LMNAMAPK1MEN1ALDH1A1KMT2A
SCHEMBL2688919 0.79 LIMK1 (0.62) LMNAMAPK1MEN1ALDH1A1KMT2A
SCHEMBL25904738 0.79 LMNA (0.82) LMNAMAPK1MEN1ALDH1A1KMT2A
SCHEMBL1101766 0.77 KDM4E (1.00) LMNAMAPK1MEN1ALDH1A1KMT2A
SCHEMBL30173777 0.77 KDM4E (1.00) LMNAMAPK1MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280792-B1 METHOD FOR PRODUCING BENZO ANNELATED HETEROCYCLES MERCK PATENT GMBH (DE) 2004-07-14 EP claimed
US-10329304-B2 Compounds and methods for inhibition of hedgehog signaling and phosphodiesterase VANDERBILT UNIVERSITY (US) 2019-06-25 US disclosed
US-20170309829-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-10-26 US disclosed
US-20170309829-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-10-26 US disclosed
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase VANDERBILT UNIVERSITY 2017-07-06 US disclosed
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase VANDERBILT UNIVERSITY 2017-07-06 US disclosed
US-20170012216-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2017-01-12 US disclosed
US-20170012216-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2017-01-12 US disclosed
US-20160240791-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-08-18 US disclosed
US-20160240791-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-08-18 US disclosed
US-6723848-B2 TETRAHYDROBENZOFURAN OR TETRAHYDROBENZOTHIOPHEN OR TETRAHDYROBENZOPYRROLE COMPOUNDS CAN BE AROMATIZED WITH A HYDROGENATION CATALYST IN PRESENCE OF A HYDROGEN ACCEPTOR, DEACYLATION OF AMINO GROUP BY ADDITION OF AN AMINE GROUP MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2004-04-20 US disclosed
US-6689885-B2 REACTING AMINOBENZOTHIOPHENE-3-CARBOXYLIC ESTER COMPOUND WITH NITRILE COMPOUND IN SOLUTION OR SUSPENSION IN A SOLVENT IN THE PRESENCE OF AN ACID TO OBTAIN THIENOPYRIMIDINE COMPOUND MERCK PATENT GMBH (DE) 2004-02-10 US disclosed
US-20030096994-A1 Method for producing thienopyrimidines MERCK PATENT GMBH (DE) 2003-05-22 US disclosed
US-20030078422-A1 Method for producing benzo annelated heterocycles MERCK PATENT GMBH (DE) 2003-04-24 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 (7 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-10329304-B2 Compounds and methods for inhibition of hedgehog signaling and phosphodiesterase PDE4A, PDE4B, PDE7A LMNA 3846/4885MAPK1 916/4885MEN1 1826/4885
US-20030096994-A1 Method for producing thienopyrimidines NUDT1, TYMP, TPMT LMNA 3289/4885MAPK1 1660/4885MEN1 1470/4885
US-20170309829-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE OCIAD2, OCIAD1, OR10J3 LMNA 4816/4885MAPK1 455/4885MEN1 2593/4885
US-20170012216-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 LMNA 1491/4885MAPK1 3987/4885MEN1 838/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A LMNA 3846/4885MAPK1 916/4885MEN1 1826/4885
US-20160240791-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OR10J3, OXER1, OCIAD1 LMNA 4847/4885MAPK1 473/4885MEN1 3118/4885
US-20030078422-A1 Method for producing benzo annelated heterocycles NAT1, AFF1, SAT1 LMNA 3472/4885MAPK1 1004/4885MEN1 903/4885

“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.