SCHEMBL12495433

SCHEMBL12495433

COC(=O)Cn1c(C)nc2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.72
KDM4E B2RXH2 3/20 0.72
HSD17B10 Q99714 2/20 0.65
NPC1 O15118 1/20 0.65
TSHR P16473 2/20 0.61
LMNA P02545 1/20 0.61
HTT P42858 1/20 0.61
MAPT P10636 1/20 0.61
GSK3B P49841 4/20 0.60
KMT2A Q03164 1/20 0.59
CYP2C19 P33261 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALPL P05186 1/20 0.56
ALPP P05187 1/20 0.56
ALPG P10696 1/20 0.56
PLAA Q9Y263 1/20 0.56
APAF1 O14727 1/20 0.56

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
SCHEMBL16421959 0.87 KDM4E (0.73) ALDH1A1KDM4EHSD17B10TSHRLMNA
SCHEMBL14616345 0.85 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10NPC1TSHR
SCHEMBL15474489 0.84 KDM4E (0.72) ALDH1A1KDM4EHSD17B10NPC1TSHR
SCHEMBL30951936 0.84 ALDH1A1 (0.64) ALDH1A1KDM4EHSD17B10TSHRLMNA
SCHEMBL8268180 0.84 KDM4E (0.67) ALDH1A1KDM4EHSD17B10NPC1TSHR
SCHEMBL5121884 0.84 KDM4E (0.67) ALDH1A1KDM4EHSD17B10NPC1TSHR
SCHEMBL3587930 0.83 KDM4E (0.69) ALDH1A1KDM4EHSD17B10TSHRLMNA
SCHEMBL3580770 0.82 KDM4E (0.65) ALDH1A1KDM4EHSD17B10NPC1LMNA
SCHEMBL18968584 0.82 KDM4E (0.64) ALDH1A1KDM4EHSD17B10NPC1TSHR
SCHEMBL12497263 0.82 LMNA (0.69) TSHRLMNAHTTGSK3BKMT2A

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
WO-2017100525-A1 SUBSTITUTED BENZIMIDAZOLIUM, PYRIDO-IMIDAZOLIUM, OR PYRAZINO-IMIDAZOLIUM COMPOUNDS AS CHEMOTHERAPEUTICS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-06-15 WO disclosed
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. 2013-10-31 US disclosed
US-8497278-B2 Imidazo[1,2-a]pyridine compounds SUNOVION PHARMACEUTICALS INC. (US) 2013-07-30 US disclosed
US-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2011-07-07 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-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD ALDH1A1 269/4885KDM4E 3088/4885HSD17B10 2559/4885
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD ALDH1A1 269/4885KDM4E 3088/4885HSD17B10 2559/4885

“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.