SCHEMBL10039865

SCHEMBL10039865

C=C1c2c(ncn2C)N(C)C(=O)N1C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.30
POLB P06746 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CNR1 P21554 1/20 0.30
ACHE P22303 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
NTSR1 P30989 1/20 0.30
MC3R P41968 1/20 0.30
NOTUM Q6P988 1/20 0.30
SIRT3 Q9NTG7 1/20 0.30
GDA Q9Y2T3 1/20 0.30
NR2E1 Q9Y466 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
SCHEMBL18175073 0.76 ADORA2B (0.43) ADORA2AADORA2B
SCHEMBL11987584 0.74 ALDH1A1 (0.32) PIK3CDPOLBADORA3CNR1ACHE
SCHEMBL20011291 0.71 GDA (0.31) GDA
SCHEMBL2136936 0.69 GDA (0.32) PIK3CDPOLBADORA3CNR1ACHE
SCHEMBL17210366 0.66 MEN1 (0.33) PIK3CDADORA3ADORA2AADORA2BADORA1
SCHEMBL10095225 0.61 ADRA2C (0.30)
SCHEMBL31685444 0.60 ALDH1A1 (0.38) PIK3CDPOLBADORA3CNR1ACHE
SCHEMBL13177050 0.58 GDA (0.32) GDA
SCHEMBL20011085 0.58 GDA (0.32) GDA
SCHEMBL19090554 0.58 HCAR3 (0.31)

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-8206692-B2 Inhibition of sweat malodor FIRMENICH SA (CH) 2012-06-26 US disclosed
US-20080025935-A1 INHIBITION OF SWEAT MALODOR FIRMENICH SA (CH) 2008-01-31 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-20080025935-A1 INHIBITION OF SWEAT MALODOR MAL2, SQOR, TST PIK3CD 3668/4885POLB 3707/4885ADORA3 4695/4885

“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.