SCHEMBL4997779

SCHEMBL4997779

C1=NCCc2ccccc21.[S]

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.41
MAOB P27338 2/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
TSHR P16473 1/20 0.35
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
CYP19A1 P11511 1/20 0.33
ADRA2A P08913 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM1A O60341 1/20 0.32
HTR2C P28335 1/20 0.31

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
SCHEMBL56690 0.98 TRPA1 (0.42) TRPA1MAOBNOS3NOS2NISCH
Hydrogen Sulfide SCHEMBL27726723 0.95 TRPA1 (0.41) TRPA1MAOBNOS3NOS2NISCH
Hydrochloric Acid SCHEMBL11654712 0.95 TRPA1 (0.41) TRPA1MAOBNOS3NOS2NISCH
Iodide SCHEMBL11466143 0.95 TRPA1 (0.41) TRPA1MAOBNOS3NOS2NISCH
Methane SCHEMBL29133449 0.95 TRPA1 (0.41) TRPA1MAOBNOS3NOS2NISCH
Ammonia Solution, Strong SCHEMBL7979304 0.95 TRPA1 (0.41) TRPA1MAOBNOS3NOS2NISCH
Charcoal, Activated SCHEMBL30695269 0.95 TRPA1 (0.41) TRPA1MAOBNOS3NOS2NISCH
Bromide SCHEMBL7979442 0.95 TRPA1 (0.41) TRPA1MAOBNOS3NOS2NISCH
Hydrochloric Acid SCHEMBL7976748 0.93 TRPA1 (0.39) TRPA1MAOBNOS3NOS2NISCH
SCHEMBL1373749 0.90 TRPA1 (0.37) TRPA1MAOBNOS3NOS2NISCH

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-20140288309-A1 PROCESS OF PRODUCING BLEACH BOOSTERS BASF SE (DE) 2014-09-25 US disclosed
US-20080200682-A1 Process of Producing Bleach Boosters BASF AKTIENGESELLSCHAFT (DE) 2008-08-21 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 (2 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-20080200682-A1 Process of Producing Bleach Boosters SQLE, BCHE, CAT TRPA1 1563/4885MAOB 23/4885NOS3 1362/4885
US-20140288309-A1 PROCESS OF PRODUCING BLEACH BOOSTERS SQLE, BCHE, CAT TRPA1 1563/4885MAOB 23/4885NOS3 1362/4885

“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.