SCHEMBL7690933

SCHEMBL7690933

CCOC(=O)C1=C(c2ccccc2)NC(=S)NC1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.78
ALOX12 P18054 2/20 0.78
LMNA P02545 1/20 0.78
MAPT P10636 1/20 0.78
CA12 O43570 3/20 0.67
CA1 P00915 3/20 0.67
CA2 P00918 3/20 0.67
CA7 P43166 3/20 0.67
CA9 Q16790 3/20 0.67
HTT P42858 3/20 0.57
DHFR P00374 1/20 0.57
KMT2A Q03164 1/20 0.56
GAA P10253 2/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
TP53 P04637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAPK1 P28482 1/20 0.54

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
SCHEMBL7689680 0.88 ALDH1A1 (1.00) ALDH1A1ALOX12LMNAMAPTCA12
SCHEMBL10112945 0.87 CA1 (0.78) ALDH1A1ALOX12LMNAMAPTCA12
SCHEMBL4668165 0.85 DHFR (0.68) ALDH1A1ALOX12LMNAMAPTCA12
SCHEMBL10112972 0.84 ALDH1A1 (0.66) ALDH1A1ALOX12LMNAMAPTCA12
SCHEMBL10112897 0.83 ALDH1A1 (0.72) ALDH1A1ALOX12LMNAMAPTCA12
SCHEMBL10112998 0.83 CA12 (0.73) ALDH1A1ALOX12LMNAMAPTCA12
SCHEMBL10112982 0.83 ALDH1A1 (0.78) ALDH1A1ALOX12LMNAMAPTCA12
SCHEMBL10112992 0.82 ALDH1A1 (0.71) ALDH1A1ALOX12LMNAMAPTCA12
SCHEMBL10112989 0.82 CA12 (0.71) ALDH1A1ALOX12LMNAMAPTCA12
SCHEMBL7695653 0.82 ALDH1A1 (0.65) ALDH1A1ALOX12LMNAMAPTCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002066443-A2 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2002-08-29 WO claimed
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
WO-2002066443-A2 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2002-08-29 WO 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 ALDH1A1 540/4885ALOX12 66/4885LMNA 1619/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 ALDH1A1 313/4885ALOX12 405/4885LMNA 3299/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 ALDH1A1 540/4885ALOX12 66/4885LMNA 1619/4885

“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.