SCHEMBL3595673

SCHEMBL3595673

NC(=O)c1ccsc1-c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
PTGS1 P23219 1/20 0.44
CASP1 P29466 1/20 0.44
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.42
PTK2 Q05397 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PRNP P04156 1/20 0.42
HPGD P15428 1/20 0.42
DGAT1 O75907 1/20 0.42
MAPK8 P45983 3/20 0.40
CDC7 O00311 1/20 0.40
ALAD P13716 1/20 0.39
MAPK10 P53779 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL4952543 0.81 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL6623848 0.81 BCAT2 (0.55) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL4948064 0.77 PTGS1 (0.50) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL4951370 0.77 PTGS1 (0.55) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL4950510 0.77 ERN1 (0.47) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL4950473 0.75 MEN1 (0.43) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL1791803 0.74
SCHEMBL4951480 0.73 MEN1 (0.45) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL4952432 0.73 ADRB2 (0.48) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL4948515 0.73 PTGS1 (0.57) ALDH1A1MEN1KMT2AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652064-B2 AMPA receptor potentiators ELI LILLY AND COMPANY (US) 2010-01-26 US disclosed
EP-1893597-B1 AMPA RECEPTOR POTENTIATORS LILLY CO ELI (US) 2008-11-12 EP disclosed
US-7393868-B2 AMPA receptor potentiators ELI LILLY AND COMPANY (US) 2008-07-01 US disclosed
EP-1893597-A2 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2008-03-05 EP disclosed
US-20070142441-A1 AMPA receptor potentiators ELI LILLY AND COMPANY 2007-06-21 US disclosed
WO-2006132811-A2 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2006-12-14 WO disclosed
US-20060276532-A1 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY 2006-12-07 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-20070142441-A1 AMPA receptor potentiators GABRE, GRIN1, GRIK2 ALDH1A1 928/4885MEN1 4077/4885KMT2A 2393/4885
US-20060276532-A1 AMPA RECEPTOR POTENTIATORS GABRE, GRIN1, GRIK2 ALDH1A1 928/4885MEN1 4077/4885KMT2A 2393/4885

“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.