SCHEMBL10113574

SCHEMBL10113574

COC(=O)C1=C(C)NC(=S)NC1c1cccc(Cl)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
ALDH1A1 P00352 9/20 0.58
ADORA2B P29275 1/20 0.58
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
MAPT P10636 4/20 0.58
LMNA P02545 4/20 0.58
CYP2C9 P11712 3/20 0.58
KDM4E B2RXH2 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C19 P33261 2/20 0.58
HIF1A Q16665 2/20 0.58
HSD17B10 Q99714 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
ABCB11 O95342 2/20 0.58
GAA P10253 2/20 0.58
HPGD P15428 1/20 0.58
TP53 P04637 1/20 0.58
CYP2D6 P10635 1/20 0.58

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
SCHEMBL10113214 0.86 TSHR (0.65) TSHRALDH1A1ADORA2BKMT2AMEN1
SCHEMBL10279644 0.86 ALDH1A1 (0.52) TSHRALDH1A1KMT2AMEN1MAPT
SCHEMBL10113532 0.86 ALDH1A1 (0.62) TSHRALDH1A1ADORA2BKMT2AMEN1
SCHEMBL13420163 0.82 CA1 (0.77) ALDH1A1ADORA2BKMT2AMEN1MAPT
SCHEMBL16983652 0.81 ALDH1A1 (0.53) ALDH1A1ADORA2BKMT2AMEN1MAPT
SCHEMBL7691934 0.81 KMT2A (0.58) ALDH1A1ADORA2BKMT2AMEN1MAPT
SCHEMBL3067467 0.79 KDM4E (0.85) TSHRALDH1A1KMT2AMEN1MAPT
SCHEMBL29755877 0.79 KDM4E (0.85) TSHRALDH1A1KMT2AMEN1MAPT
SCHEMBL10113621 0.79 LMNA (0.80) TSHRALDH1A1KMT2AMEN1MAPT
SCHEMBL31706859 0.78 CA1 (0.78) TSHRALDH1A1ADORA2BKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815838-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2017-11-14 US disclosed
US-9815838-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2017-11-14 US disclosed
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2014-08-07 US disclosed
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2014-08-07 US disclosed
US-8389529-B2 Methods and compositions for treating asthma HYDRA BIOSCIENCES, INC. (US) 2013-03-05 US disclosed
US-8389529-B2 Methods and compositions for treating asthma HYDRA BIOSCIENCES, INC. (US) 2013-03-05 US disclosed
US-8178542-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2012-05-15 US disclosed
US-8178542-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2012-05-15 US disclosed
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ELI LILLY AND COMPANY 2010-10-21 US disclosed
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ELI LILLY AND COMPANY 2010-10-21 US disclosed
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 (3 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-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 TSHR 4859/4885ALDH1A1 540/4885ADORA2B 493/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 TSHR 2721/4885ALDH1A1 313/4885ADORA2B 65/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 TSHR 4859/4885ALDH1A1 540/4885ADORA2B 493/4885

“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.