SCHEMBL4386299

SCHEMBL4386299

CC(=O)NOc1nccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.46
TRPA1 O75762 1/20 0.43
PLAU P00749 2/20 0.43
CYP2A6 P11509 1/20 0.43
F12 P00748 1/20 0.43
NCF1 P14598 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
BACE1 P56817 1/20 0.43
SSTR1 P30872 1/20 0.43
SSTR4 P31391 1/20 0.43
FFAR1 O14842 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
KLK5 Q9Y337 1/20 0.41
PLG P00747 1/20 0.41
NPC1 O15118 2/20 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
SCHEMBL10575536 0.81 PLAU (0.46) ACACBTRPA1PLAUCYP2A6F12
SCHEMBL9974146 0.79 ACACB (0.47) ACACBTRPA1PLAUCYP2A6F12
SCHEMBL523707 0.79 KLK5 (0.49) ACACBTRPA1PLAUCYP2A6F12
SCHEMBL28197980 0.76 KLK5 (0.47) ACACBTRPA1PLAUCYP2A6F12
SCHEMBL2230387 0.76 KLK5 (0.49) TRPA1PLAUCYP2A6F12NCF1
SCHEMBL4353465 0.75 KLK5 (0.51) ACACBTRPA1PLAUCYP2A6F12
SCHEMBL16973911 0.74 TDP1 (0.58) ACACBTRPA1SSTR1SSTR4FFAR1
SCHEMBL27220785 0.73 KLK5 (0.53) ACACBTRPA1PLAUCYP2A6F12
SCHEMBL7191251 0.73 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDRAB9AMAPT
SCHEMBL761986 0.73 KLK5 (0.50) TRPA1PLAUCYP2A6F12NCF1

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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 ACACB 3911/4885TRPA1 14/4885PLAU 4791/4885

“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.