SCHEMBL10114577

SCHEMBL10114577

CC(C)NC(=O)c1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.73
▸ KMT2A Q03164 2/20 0.70
▸ MEN1 O00255 1/20 0.70
▸ CYP1A2 P05177 1/20 0.70
▸ ALOX15 P16050 1/20 0.69
▸ TP53 P04637 3/20 0.68
▸ MAPK1 P28482 1/20 0.64
▸ RXFP1 Q9HBX9 6/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ NPSR1 Q6W5P4 1/20 0.63
▸ TRPA1 O75762 2/20 0.62
▸ POLB P06746 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.59
▸ PORCN Q9H237 1/20 0.57

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
SCHEMBL10114499 0.87 TSHR (0.83) TSHRKMT2ACYP1A2ALOX15TP53
SCHEMBL10114247 0.87 CYP1A2 (0.77) TSHRKMT2ACYP1A2ALOX15TP53
SCHEMBL10114399 0.85 TSHR (0.68) TSHRKMT2ACYP1A2ALOX15TP53
SCHEMBL10114493 0.84 TSHR (1.00) TSHRKMT2ACYP1A2ALOX15TP53
SCHEMBL20079668 0.84 CYP1A2 (0.75) TSHRKMT2AMEN1CYP1A2ALOX15
SCHEMBL10114463 0.82 TSHR (0.67) TSHRKMT2ACYP1A2ALOX15TP53
SCHEMBL10114474 0.82 CYP1A2 (1.00) TSHRKMT2ACYP1A2ALOX15TP53
SCHEMBL10114488 0.82 ALOX15 (1.00) TSHRKMT2ACYP1A2ALOX15TP53
SCHEMBL15384516 0.82 CYP1A2 (0.68) TSHRKMT2AMEN1CYP1A2ALOX15
SCHEMBL12584350 0.81 CYP1A2 (0.78) TSHRKMT2ACYP1A2ALOX15TP53

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
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
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 — — EP disclosed
EP-2170309-B1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL HYDRA BIOSCIENCES INC (US) 2016-10-26 — — EP 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-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-20110151018-A1 METHODS OF INSECT CONTROL BRANDEIS UNIVERSITY (US) 2011-06-23 — — US disclosed
US-20110151018-A1 METHODS OF INSECT CONTROL BRANDEIS UNIVERSITY (US) 2011-06-23 — — 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 (4 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-20110151018-A1 METHODS OF INSECT CONTROL TRPA1, TRPV1, TRPV2 TSHR 3950/4885KMT2A 2230/4885MEN1 4056/4885
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 TSHR 4859/4885KMT2A 3581/4885MEN1 4652/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 TSHR 2721/4885KMT2A 4097/4885MEN1 4734/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 TSHR 4859/4885KMT2A 3581/4885MEN1 4652/4885

“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.

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