SCHEMBL3575976

SCHEMBL3575976

O=[N+]([O-])C1CNCCC1NC1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 11/20 0.35
MAOB P27338 5/20 0.35
CISD1 Q9NZ45 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
MAOA P21397 3/20 0.33
EPHX1 P07099 2/20 0.33
KCNH2 Q12809 1/20 0.32
POLB P06746 1/20 0.31
PNMT P11086 1/20 0.30

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
SCHEMBL9921587 0.73 PNMT (0.37) PNMT
SCHEMBL5188978 0.70 JAK3 (0.39) KDM1AMAOBSLC6A2SLC6A4MAOA
SCHEMBL15758321 0.68 SLC6A1 (0.35) PNMT
SCHEMBL9921591 0.65 CCR5 (0.32)
SCHEMBL3237330 0.65 EPHX1 (0.50) KDM1AMAOBCISD1SLC6A2HTR1B
SCHEMBL1955385 0.62 EPHX1 (0.48) KDM1AMAOBCISD1SLC6A2HTR1B
SCHEMBL8795601 0.62
SCHEMBL14239873 0.62 KDM1A (0.35) KDM1AMAOBCISD1SLC6A2HTR1B
SCHEMBL4372276 0.62 KCNH2 (0.38) KDM1AMAOBCISD1SLC6A2HTR1B
SCHEMBL24312790 0.61 KCNH2 (0.44) KDM1AMAOBCISD1SLC6A2HTR1B

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-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 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-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives SSTR5, SSTR1, SSTR2 KDM1A 3571/4885MAOB 888/4885CISD1 2960/4885

“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.