SCHEMBL3798167

SCHEMBL3798167

C=CCc1cccc2sc([SeH])nc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 3/20 0.31
LMNA P02545 3/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 1/20 0.31
AKR1B1 P15121 1/20 0.31
PKM P14618 1/20 0.30
PDPK1 O15530 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PDE10A Q9Y233 1/20 0.30
MAPK1 P28482 1/20 0.30
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30
VCAM1 P19320 1/20 0.30

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
SCHEMBL2360291 0.81 GABRA1 (0.39) GABRA1GABRB2MEN1KMT2AL3MBTL1
SCHEMBL28532339 0.81 GABRA1 (0.39) GABRA1GABRB2MEN1KMT2AL3MBTL1
SCHEMBL9412069 0.81 ALDH1A1 (0.51) GABRA1GABRB2MEN1KMT2AL3MBTL1
SCHEMBL2360344 0.81 GABRA1 (0.46) GABRA1GABRB2MEN1KMT2AL3MBTL1
SCHEMBL11808159 0.77 GABRA1 (0.36) GABRA1GABRB2MEN1KMT2AL3MBTL1
SCHEMBL3655835 0.77 GABRA1 (0.39) GABRA1GABRB2MEN1KMT2AL3MBTL1
SCHEMBL14696799 0.77 PSMB8 (0.55) GABRA1GABRB2MEN1KMT2AL3MBTL1
SCHEMBL3655879 0.76 GABRA1 (0.41) GABRA1GABRB2MEN1KMT2AL3MBTL1
Hydrogen Sulfide SCHEMBL28865870 0.74 TLR8 (0.36) GABRA1GABRB2MEN1KMT2AALDH1A1
SCHEMBL3654540 0.73 MEN1 (0.39) GABRA1GABRB2MEN1KMT2AL3MBTL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829580-B2 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2010-11-09 US disclosed
US-20060270706-A1 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2006-11-30 US disclosed
EP-1695962-A1 CYCLIC AMINE DERIVATIVE HAVING HETEROARYL RING Sankyo Company, Limited (JP) 2006-08-30 EP disclosed
US-7012147-B2 Enzyme inhibitors; chemical intermediates SANKYO COMPANY, LIMITED (JP) 2006-03-14 US disclosed
US-20060014965-A1 Indoline derivative and process for producing the same SANKYO COMPANY, LIMITED (JP) 2006-01-19 US disclosed
US-20040058979-A1 Indoline derivative and process for producing the same SANKYO COMPANY, LIMITED (JP) 2004-03-25 US disclosed
EP-1364942-A1 INDOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Sankyo Company, Limited (JP) 2003-11-26 EP disclosed
EP-1152007-A1 ETHER TYPE LIPID A1-CARBOXYLIC ACID ANALOGUES Sankyo Company, Limited (JP) 2001-11-07 EP 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 (3 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-20060270706-A1 Cyclic amine derivative having heteroaryl ring F12, F2, H1-3 GABRA1 1864/4885GABRB2 3504/4885MEN1 755/4885
US-20060014965-A1 Indoline derivative and process for producing the same ACAT2, ACAT1, INMT GABRA1 4192/4885GABRB2 3993/4885MEN1 2291/4885
US-20040058979-A1 Indoline derivative and process for producing the same ACAT2, ACAT1, INMT GABRA1 4192/4885GABRB2 3993/4885MEN1 2291/4885

“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.