SCHEMBL16335477

SCHEMBL16335477

O=C(c1ccccc1)N1CCOC1=S

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.54
FAAH O00519 2/20 0.54
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
POLB P06746 1/20 0.49
HPGD P15428 3/20 0.46
TSHR P16473 1/20 0.45
SIGMAR1 Q99720 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PHGDH O43175 1/20 0.41
NOTUM Q6P988 1/20 0.41

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
SCHEMBL8324037 0.82 NAAA (0.74) NAAAFAAHPOLB
SCHEMBL16193763 0.77 POLB (0.78) NAAAFAAHALDH1A1MAPTPOLB
SCHEMBL16335626 0.76 FAAH (0.61) NAAAFAAHALDH1A1MAPTTSHR
SCHEMBL8778553 0.71 HPGD (0.51) NAAAFAAHALDH1A1CYP1A2MAPT
SCHEMBL19612752 0.70 NAAA (1.00) NAAAFAAHKMT2A
SCHEMBL5015512 0.70 POLB (0.77) NAAAALDH1A1MAPTPOLBHPGD
SCHEMBL19628792 0.70 NAAA (1.00) NAAAFAAHKMT2AHPGD
SCHEMBL8778482 0.70 HPGD (0.54) NAAAFAAHALDH1A1MAPTKMT2A
SCHEMBL30063016 0.70 ALDH1A1 (0.55) NAAAFAAHALDH1A1CYP1A2MAPT
SCHEMBL2685197 0.69 ALDH1A1 (1.00) ALDH1A1CYP1A2MAPTCYP2C19KMT2A

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-9598383-B2 Reactive oxygen species-based prodrugs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-21 US disclosed
US-20150005352-A1 REACTIVE OXYGEN SPECIES-BASED PRODRUGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-01-01 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-20150005352-A1 REACTIVE OXYGEN SPECIES-BASED PRODRUGS ROS1, NOX4, NOX1 NAAA 2323/4885FAAH 4085/4885ALDH1A1 173/4885

“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.