SCHEMBL10189498

SCHEMBL10189498

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

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.59
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.55
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 5/20 0.48
ALDH1A1 P00352 4/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 2/20 0.46
PSMD14 O00487 1/20 0.46
OPRK1 P41145 1/20 0.46
POLB P06746 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL10189464 0.87 KMT2A (0.59) PKMKMT2AMEN1LMNAL3MBTL1
SCHEMBL15139321 0.84 ALDH1A1 (0.65) KMT2AMEN1LMNAL3MBTL1ALDH1A1
SCHEMBL14648860 0.84 KMT2A (0.46) PKMKMT2AMEN1LMNAL3MBTL1
SCHEMBL10189465 0.83 L3MBTL1 (0.50) PKMLMNAL3MBTL1ALDH1A1GAA
SCHEMBL12851489 0.77 LMNA (0.65) PKMKMT2AMEN1LMNAPSMD14
Hydrochloric Acid SCHEMBL3471902 0.76 PKM (0.65) PKMKMT2AMEN1LMNAL3MBTL1
SCHEMBL10189502 0.74 GAA (0.47) PKMKMT2AMEN1LMNAL3MBTL1
SCHEMBL26116137 0.72 KMT2A (0.98) PKMKMT2AMEN1LMNAALDH1A1
SCHEMBL14648848 0.72 KMT2A (0.61) KMT2AMEN1LMNAL3MBTL1ALDH1A1
SCHEMBL13151119 0.69 ALDH1A1 (0.59) KMT2AMEN1LMNAL3MBTL1ALDH1A1

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 3 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-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 (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-20120015976-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 PKM 3735/4885KMT2A 1523/4885MEN1 186/4885

“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.