SCHEMBL10189465

SCHEMBL10189465

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.50
ALDH1A1 P00352 5/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 5/20 0.48
HSD17B10 Q99714 2/20 0.47
LMNA P02545 1/20 0.47
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
CNR2 P34972 1/20 0.44
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TLR2 O60603 2/20 0.42
PKM P14618 1/20 0.41

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
SCHEMBL10189497 0.86 ALDH1A1 (0.47) L3MBTL1ALDH1A1GAAKDM4ELMNA
SCHEMBL15139321 0.86 ALDH1A1 (0.65) L3MBTL1ALDH1A1GAAKDM4EHSD17B10
SCHEMBL10189502 0.85 GAA (0.47) L3MBTL1ALDH1A1GAAKDM4EHSD17B10
SCHEMBL10189466 0.83 ALDH1A1 (0.41) L3MBTL1ALDH1A1KDM4ELMNACNR2
SCHEMBL10189498 0.83 PKM (0.59) L3MBTL1ALDH1A1GAAKDM4EHSD17B10
SCHEMBL10189646 0.72 ALDH1A1 (0.46) L3MBTL1ALDH1A1KDM4ELMNACYP2C19
SCHEMBL13151119 0.71 ALDH1A1 (0.59) L3MBTL1ALDH1A1GAAKDM4EHSD17B10
SCHEMBL18886798 0.70 ALDH1A1 (0.55) L3MBTL1ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL15139322 0.70 CNR2 (0.42) ALDH1A1LMNACNR2MAPTPKM
SCHEMBL10189464 0.69 KMT2A (0.59) L3MBTL1ALDH1A1GAALMNAMAPT

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 L3MBTL1 1151/4885ALDH1A1 4088/4885GAA 816/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 L3MBTL1 1151/4885ALDH1A1 4088/4885GAA 816/4885

“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.