SCHEMBL10189646

SCHEMBL10189646

CC(C)Nc1sc2c(c1C(N)=O)CCN(C(C)(C)C)C2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ANO1 Q5XXA6 1/20 0.45
KMT2A Q03164 10/20 0.45
MEN1 O00255 5/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.43
FLT3 P36888 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 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
SCHEMBL10189502 0.87 GAA (0.47) ALDH1A1L3MBTL1KMT2AMEN1LMNA
SCHEMBL15139322 0.86 CNR2 (0.42) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL10189497 0.85 ALDH1A1 (0.47) ALDH1A1L3MBTL1ANO1KMT2AMEN1
SCHEMBL14648848 0.82 KMT2A (0.61) ALDH1A1L3MBTL1KMT2AMEN1LMNA
SCHEMBL10189464 0.73 KMT2A (0.59) ALDH1A1L3MBTL1KMT2AMEN1LMNA
SCHEMBL10189466 0.72 ALDH1A1 (0.41) ALDH1A1L3MBTL1KMT2AMEN1LMNA
SCHEMBL10189465 0.72 L3MBTL1 (0.50) ALDH1A1L3MBTL1LMNASMN1; SMN2KDM4E
SCHEMBL18886798 0.69 ALDH1A1 (0.55) ALDH1A1L3MBTL1ANO1KMT2AMEN1
SCHEMBL13151131 0.69 KMT2A (0.68) ALDH1A1L3MBTL1KMT2AMEN1NPC1
SCHEMBL8288701 0.69 ADORA1 (0.55) ALDH1A1L3MBTL1KMT2AMEN1NPC1

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 ALDH1A1 4088/4885L3MBTL1 1151/4885ANO1 1863/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 ALDH1A1 4088/4885L3MBTL1 1151/4885ANO1 1863/4885

“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.