SCHEMBL5113787

SCHEMBL5113787

CCCC(=O)Nc1sccc1C(=O)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
L3MBTL1 Q9Y468 3/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
MAPK10 P53779 1/20 0.51
MAPK8 P45983 1/20 0.50
ALOX15 P16050 1/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.47
EPHX2 P34913 1/20 0.47
HPGD P15428 3/20 0.46
GAA P10253 2/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
BRD4 O60885 1/20 0.45
NSD2 O96028 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL5104057 0.85 KMT2A (0.54) NPC1RAB9AL3MBTL1CYP3A4CYP2C19
SCHEMBL5065942 0.84 MAPK10 (0.53) NPC1RAB9AL3MBTL1CYP3A4CYP2C19
SCHEMBL5112027 0.81 MAPK8 (0.58) L3MBTL1CYP3A4CYP2C19MAPK10MAPK8
SCHEMBL5106903 0.80 MAPK10 (0.49) NPC1RAB9AL3MBTL1CYP3A4CYP2C19
SCHEMBL30216505 0.80 MEN1 (0.53) L3MBTL1CYP3A4CYP2C19MAPK10KMT2A
SCHEMBL5359973 0.77 CYP3A4 (0.61) L3MBTL1CYP3A4CYP2C19KMT2ALMNA
SCHEMBL26401375 0.76 HPGD (0.57) L3MBTL1CYP3A4CYP2C19KMT2ALMNA
SCHEMBL770934 0.75 CYP3A4 (0.87) L3MBTL1CYP3A4CYP2C19KMT2AEPHX2
SCHEMBL1285661 0.74 CFD (0.60) NPC1RAB9AMAPK8KMT2ALMNA
SCHEMBL20976469 0.74 KMT2A (0.57) L3MBTL1CYP3A4CYP2C19KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378411-B2 Substituted thienopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2008-05-27 US disclosed
US-7378411-B2 Substituted thienopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2008-05-27 US disclosed
US-7378411-B2 Substituted thienopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2008-05-27 US disclosed
EP-1463733-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2007-09-05 EP disclosed
EP-1463733-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2007-09-05 EP disclosed
EP-1551962-A4 MITOTIC KINESIN BINDING SITE MERCK & CO INC (US) 2007-08-01 EP disclosed
US-20060134767-A1 Mitotic kinesin binding site MERCK & CO., INC. 2006-06-22 US disclosed
EP-1463733-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2006-01-11 EP disclosed
US-20050228003-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2005-10-13 US disclosed
EP-1551962-A2 MITOTIC KINESIN BINDING SITE Merck & Co., Inc. (US) 2005-07-13 EP disclosed
EP-1463733-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2004-10-06 EP disclosed
WO-2004004652-A2 MITOTIC KINESIN BINDING SITE MERCK & CO., INC. (US) 2004-01-15 WO disclosed
WO-2003050064-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-06-19 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 (1 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-20050228003-A1 Mitotic kinesin inhibitors KIF5B, KIF18B, KIFC1 NPC1 1598/4885RAB9A 1375/4885L3MBTL1 2025/4885

“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.