SCHEMBL13420163

SCHEMBL13420163

COC(=O)C1=C(C)NC(=S)NC1c1ccccc1C

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.77
CA2 P00918 4/20 0.77
ALDH1A1 P00352 9/20 0.63
ADORA2B P29275 3/20 0.63
MAPT P10636 2/20 0.62
DHFR P00374 2/20 0.61
KDM4E B2RXH2 1/20 0.56
KMT2A Q03164 4/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.52
MEN1 O00255 2/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL10113419 0.87 CA1 (1.00) CA1CA2ALDH1A1ADORA2BDHFR
SCHEMBL10113540 0.85 ADORA2B (0.61) CA1CA2ALDH1A1ADORA2BKMT2A
SCHEMBL7691934 0.85 KMT2A (0.58) CA1CA2ALDH1A1ADORA2BMAPT
SCHEMBL10113534 0.84 ALDH1A1 (0.61) CA1CA2ALDH1A1ADORA2BMAPT
SCHEMBL7690576 0.83 DHFR (0.76) CA1CA2ALDH1A1ADORA2BMAPT
SCHEMBL10113461 0.83 DHFR (0.64) CA1CA2ALDH1A1ADORA2BMAPT
SCHEMBL10113574 0.82 TSHR (0.61) CA1CA2ALDH1A1ADORA2BMAPT
SCHEMBL7694652 0.80 DHFR (0.63) CA1CA2ALDH1A1ADORA2BMAPT
SCHEMBL10113532 0.77 ALDH1A1 (0.62) CA1CA2ALDH1A1ADORA2BMAPT
SCHEMBL10829935 0.77 CYP2C9 (0.66) ALDH1A1MAPTKDM4EKMT2ASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671061-B2 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES, INC. (US) 2010-03-02 US disclosed
US-7671061-B2 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES, INC. (US) 2010-03-02 US disclosed
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES (US) 2007-09-20 US disclosed
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES (US) 2007-09-20 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-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 CA1 1004/4885CA2 336/4885ALDH1A1 313/4885

“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.