SCHEMBL12469411

SCHEMBL12469411

Clc1ccc(N2CCN(CCSc3nnnn3-c3ccccc3)CC2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
LMNA P02545 3/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 8/20 0.46
TSHR P16473 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL12469349 0.94 SLC6A2 (0.56) SLC6A2SLC6A3LMNATP53ALDH1A1
SCHEMBL12469234 0.88 ALDH1A1 (0.61) SLC6A2SLC6A3LMNATP53ALDH1A1
SCHEMBL12469002 0.82 ALDH1A1 (0.58) SLC6A2SLC6A3LMNATP53ALDH1A1
SCHEMBL12469487 0.82 SLC6A2 (0.52) SLC6A2SLC6A3LMNATP53ALDH1A1
SCHEMBL12469526 0.81 NPSR1 (0.63) SLC6A2SLC6A3TP53ALDH1A1TSHR
SCHEMBL15506186 0.77 ALDH1A1 (0.74) SLC6A2SLC6A3LMNAALDH1A1TSHR
SCHEMBL10579015 0.77 DRD2 (0.50) SLC6A2SLC6A3LMNAALDH1A1SMN1; SMN2
SCHEMBL12469049 0.77 ALDH1A1 (0.48) LMNAALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL12469501 0.76 DRD2 (0.58) SLC6A2SLC6A3LMNATP53ALDH1A1
SCHEMBL12469317 0.76 NPSR1 (0.61) SLC6A2SLC6A3ALDH1A1TSHRSMN1; SMN2

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 2 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 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 SLC6A2 65/4885SLC6A3 99/4885LMNA 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.