SCHEMBL12468950

SCHEMBL12468950

c1ccc(-n2nnnc2SCCCN2CCN(c3nccc4occc34)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
TSHR P16473 3/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DRD2 P14416 5/20 0.41
HTR2A P28223 5/20 0.41
DRD3 P35462 5/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL12469400 0.94 ALDH1A1 (0.44) ALDH1A1TSHRLMNAHPGDSMN1; SMN2
SCHEMBL12469254 0.83 ALDH1A1 (0.43) ALDH1A1TSHRLMNAHPGDPOLB
SCHEMBL12468833 0.78 DRD2 (0.50) DRD2HTR2ADRD3HTR2C
SCHEMBL12469353 0.77 NPC1 (0.43) ALDH1A1TSHRSMN1; SMN2NPC1NFKB1
SCHEMBL12469226 0.75 ALDH1A1 (0.48) ALDH1A1TSHRLMNAHPGDPOLB
SCHEMBL12469002 0.74 ALDH1A1 (0.58) ALDH1A1TSHRLMNAHPGDPOLB
SCHEMBL12469349 0.73 SLC6A2 (0.56) ALDH1A1TSHRLMNAHPGDPOLB
SCHEMBL12468861 0.73 HTR2C (0.58) DRD2HTR2ADRD3HTR2C
SCHEMBL15971545 0.73 HTR2C (0.64) ALDH1A1TSHRLMNAHPGDRAB9A
SCHEMBL12469501 0.72 DRD2 (0.58) ALDH1A1TSHRLMNAHPGDPOLB

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-20130289047-A1 HETEROARYLTHIO DERIVATIVES AND ANALOGUES EPIOMED THERAPEUTICS, INC. (US) 2013-10-31 US claimed
WO-2012051601-A2 HETEROARYLTHIO COMPOUNDS EPIOMED THERAPEUTICS, INC. (US) 2012-04-19 WO claimed
US-20130289047-A1 HETEROARYLTHIO DERIVATIVES AND ANALOGUES EPIOMED THERAPEUTICS, INC. (US) 2013-10-31 US disclosed
WO-2012051601-A2 HETEROARYLTHIO COMPOUNDS EPIOMED THERAPEUTICS, INC. (US) 2012-04-19 WO 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 (1 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-20130289047-A1 HETEROARYLTHIO DERIVATIVES AND ANALOGUES NLN, HTT, ABAT ALDH1A1 2297/4885TSHR 745/4885LMNA 2984/4885

“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.