SCHEMBL15023264

SCHEMBL15023264

N#Cc1cccc(CSCCN)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.49
▸ DAO P14920 1/20 0.48
▸ ADRA2C P18825 1/20 0.44
▸ EPHX1 P07099 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ GSK3A P49840 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ CDC7 O00311 1/20 0.41
▸ DBF4 Q9UBU7 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ CYP19A1 P11511 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ LOXL2 Q9Y4K0 1/20 0.40

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
SCHEMBL28448952 0.86 DAO (0.51) DAOEPHX1HRH3CTSBGSK3A
SCHEMBL9626102 0.80 DAO (0.42) DAOEPHX1HRH3CTSBGSK3A
SCHEMBL6011460 0.77 GLS (0.50) DAOADRA2CHRH3GLACYP19A1
SCHEMBL2004401 0.77 ADRA2C (0.54) KIF11ADRA2CHRH3GLACYP19A1
SCHEMBL30358086 0.76 LOXL2 (0.61) KIF11ADRA2CHRH3GLACYP19A1
Water SCHEMBL5709133 0.76 LOXL2 (0.61) KIF11ADRA2CHRH3GLACYP19A1
SCHEMBL580840 0.76 LOXL2 (0.61) KIF11ADRA2CHRH3GLACYP19A1
Hydrochloric Acid SCHEMBL17646469 0.75 ADRA2C (0.53) KIF11ADRA2CHRH3GLACYP19A1
SCHEMBL4935305 0.75 GLA (0.50) DAOEPHX1HRH3CTSBGSK3A
Hydrochloric Acid SCHEMBL29678214 0.75 ADRA2C (0.53) KIF11ADRA2CHRH3GLACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158112-A1 COMPOSITIONS AND METHODS FOR INHIBITING BETA AMYLOID SECRETION CASE WESTERN RESERVE UNIVERSITY 2013-06-20 — — 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 (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-20130158112-A1 COMPOSITIONS AND METHODS FOR INHIBITING BETA AMYLOID SECRETION IAPP, APP, BACE1 KIF11 4051/4885DAO 1308/4885ADRA2C 170/4885

“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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