SCHEMBL6654580

SCHEMBL6654580

COC(=O)c1c(NC(C)=O)sc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
MAPK1 P28482 1/20 0.63
L3MBTL1 Q9Y468 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
ATM Q13315 2/20 0.53
KDM4E B2RXH2 5/20 0.53
MAPT P10636 4/20 0.53
GAA P10253 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2D6 P10635 1/20 0.53
HK1 P19367 1/20 0.53
CYP2C19 P33261 1/20 0.53
HKDC1 Q2TB90 1/20 0.53
ALDH1A1 P00352 6/20 0.51
HPGD P15428 3/20 0.51
NPC1 O15118 2/20 0.51
RXFP1 Q9HBX9 3/20 0.51
MEN1 O00255 2/20 0.50

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
SCHEMBL5165684 0.86 MAPT (0.67) LMNAMAPK1KDM4EMAPTCYP1A2
SCHEMBL8329259 0.84 ABCC1 (0.63) LMNAMAPK1KDM4EMAPTGAA
SCHEMBL4059329 0.82 ABCC1 (0.50) LMNAMAPK1L3MBTL1TDP1MAPT
SCHEMBL7845889 0.82 LMNA (0.52) LMNAMAPK1L3MBTL1TDP1ATM
SCHEMBL3599532 0.81 LMNA (0.71) LMNAMAPK1L3MBTL1TDP1ATM
SCHEMBL7847580 0.80 LMNA (0.50) LMNAMAPK1L3MBTL1TDP1ATM
SCHEMBL15699989 0.78 LMNA (0.58) LMNAMAPK1L3MBTL1TDP1ATM
SCHEMBL14304674 0.78 ALDH1A1 (0.45) LMNAMAPK1KDM4EMAPTGAA
SCHEMBL9495325 0.78 LMNA (1.00) LMNAMAPK1L3MBTL1TDP1ATM
SCHEMBL6656348 0.76 LMNA (0.69) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-1280792-B1 METHOD FOR PRODUCING BENZO ANNELATED HETEROCYCLES MERCK PATENT GMBH (DE) 2004-07-14 EP 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-20030078422-A1 Method for producing benzo annelated heterocycles MERCK PATENT GMBH (DE) 2003-04-24 US disclosed
EP-1280792-A1 METHOD FOR PRODUCING BENZO ANNELATED HETEROCYCLES MERCK PATENT GmbH (DE) 2003-02-05 EP disclosed
WO-2001077099-A1 METHOD FOR PRODUCING BENZO ANNELATED HETEROCYCLES MERCK PATENT GMBH (DE) 2001-10-18 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-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A LMNA 3846/4885MAPK1 916/4885L3MBTL1 3099/4885
US-20160240791-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OR10J3, OXER1, OCIAD1 LMNA 4847/4885MAPK1 473/4885L3MBTL1 4625/4885
US-20030078422-A1 Method for producing benzo annelated heterocycles NAT1, AFF1, SAT1 LMNA 3472/4885MAPK1 1004/4885L3MBTL1 3073/4885

“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.