SCHEMBL4559171

SCHEMBL4559171

C=CC(c1ccccn1)N(C(C=C)c1ccccn1)C(C=C)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 3/20 0.44
▸ SLC6A4 P31645 3/20 0.44
▸ SLC6A3 Q01959 2/20 0.44
▸ TSHR P16473 2/20 0.43
▸ KCNA5 P22460 5/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ KCNE1 P15382 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CHRM2 P08172 2/20 0.38
▸ SCN1A P35498 2/20 0.38
▸ SCN2A Q99250 2/20 0.38
▸ SCN3A Q9NY46 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ CYP1A2 P05177 3/20 0.34

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
SCHEMBL8616969 0.82 LMNA (0.39) SLC6A2SLC6A4SLC6A3TSHRNPSR1
SCHEMBL6160196 0.77 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL11800360 0.77 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL253431 0.73 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL21742323 0.73 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL4759333 0.73 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL4954290 0.73 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL10945061 0.73 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL11034374 0.73 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL1385556 0.73 SLC6A3 (0.45) SLC6A2SLC6A4SLC6A3TSHRKCNA5

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-20090233893-A1 Methods of Dissolving Beta-Sheet Proteins and Uses Thereof ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY 2009-09-17 — — US disclosed
WO-2007139805-A2 METHODS OF DISSOLVING BETA-SHEET PROTEINS AND USES THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2007-12-06 — — 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-20090233893-A1 Methods of Dissolving Beta-Sheet Proteins and Uses Thereof CACYBP, HSPBP1, SLC30A7 SLC6A2 2924/4885SLC6A4 3280/4885SLC6A3 2591/4885

“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.

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