SCHEMBL10189464

SCHEMBL10189464

CC(C)N1CCc2c(sc(NC(C)(C)C)c2C(N)=O)C1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.59
MEN1 O00255 6/20 0.59
POLB P06746 1/20 0.59
ALDH1A1 P00352 5/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
MAPT P10636 6/20 0.55
RAD52 P43351 2/20 0.55
PAX8 Q06710 1/20 0.54
TP53 P04637 3/20 0.53
LMNA P02545 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
PSMD14 O00487 1/20 0.53
OPRK1 P41145 1/20 0.53
GAA P10253 1/20 0.51
BLM P54132 1/20 0.51
MCL1 Q07820 1/20 0.51
HTT P42858 1/20 0.47
PKM P14618 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
SCHEMBL10189498 0.87 PKM (0.59) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL14648848 0.85 KMT2A (0.61) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL14648860 0.85 KMT2A (0.46) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL10189497 0.82 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL18886798 0.81 ALDH1A1 (0.55) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL17021989 0.78 KCNH2 (0.72) KMT2AMEN1POLBALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL16961428 0.77 KCNH2 (0.72) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL18902242 0.75 KMT2A (0.58) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL10189646 0.73 ALDH1A1 (0.46) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL10189644 0.72 PTPRC (0.53) KMT2AMEN1ALDH1A1MAPTLMNA

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 KMT2A 1523/4885MEN1 186/4885POLB 3417/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 KMT2A 1523/4885MEN1 186/4885POLB 3417/4885

“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.