SCHEMBL10189502

SCHEMBL10189502

COC(=O)c1c(NC(C)C)sc2c1CCN(C(C)(C)C)C2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.47
ALDH1A1 P00352 6/20 0.47
LMNA P02545 5/20 0.47
NPSR1 Q6W5P4 4/20 0.47
MAPT P10636 4/20 0.47
GPR55 Q9Y2T6 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CNR2 P34972 1/20 0.45
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TLR2 O60603 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL10189646 0.87 ALDH1A1 (0.46) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL10189465 0.85 L3MBTL1 (0.50) GAAALDH1A1LMNAMAPTKDM4E
SCHEMBL15139322 0.85 CNR2 (0.42) ALDH1A1LMNANPSR1MAPTGPR55
SCHEMBL10189498 0.74 PKM (0.59) GAAALDH1A1LMNAKDM4EHSD17B10
SCHEMBL15139321 0.72 ALDH1A1 (0.65) GAAALDH1A1LMNANPSR1MAPT
SCHEMBL10189497 0.72 ALDH1A1 (0.47) GAAALDH1A1LMNAMAPTKDM4E
SCHEMBL10189466 0.71 ALDH1A1 (0.41) ALDH1A1LMNANPSR1MAPTGPR55
SCHEMBL13151119 0.69 ALDH1A1 (0.59) GAAALDH1A1LMNANPSR1MAPT
SCHEMBL14648848 0.69 KMT2A (0.61) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL13833844 0.67 ALDH1A1 (0.62) GAAALDH1A1LMNANPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497283-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-07-30 US disclosed
US-20130023556-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 US disclosed
US-8329907-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2012-12-11 US disclosed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 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 (2 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-20120015976-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 GAA 816/4885ALDH1A1 4088/4885LMNA 682/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 GAA 816/4885ALDH1A1 4088/4885LMNA 682/4885

“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.