SCHEMBL10114261

SCHEMBL10114261

Cc1ccccc1CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.72
TP53 P04637 4/20 0.68
LMNA P02545 2/20 0.66
GAA P10253 1/20 0.66
RXFP1 Q9HBX9 5/20 0.60
MAPK1 P28482 2/20 0.60
ALOX15 P16050 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
PORCN Q9H237 1/20 0.58
TSHR P16473 1/20 0.58
ALDH1A1 P00352 2/20 0.57
ADORA2B P29275 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL1067104 0.90 CYP1A2 (0.69) CYP1A2TP53LMNAGAARXFP1
SCHEMBL10113968 0.88 TP53 (0.67) CYP1A2TP53LMNAGAARXFP1
O-Xylene SCHEMBL27814994 0.87 CYP1A2 (0.74) CYP1A2TP53LMNAGAARXFP1
SCHEMBL19036645 0.87 ALOX15 (0.73) CYP1A2TP53LMNAGAARXFP1
SCHEMBL15384403 0.87 LMNA (0.65) CYP1A2TP53LMNAGAARXFP1
SCHEMBL10114474 0.84 CYP1A2 (1.00) CYP1A2TP53RXFP1MAPK1ALOX15
SCHEMBL10113993 0.83 LMNA (0.68) CYP1A2TP53LMNAGAARXFP1
SCHEMBL20561812 0.83 SMN1; SMN2 (0.72) CYP1A2TP53LMNARXFP1MAPK1
SCHEMBL12584223 0.83 LMNA (0.71) CYP1A2TP53LMNAGAARXFP1
SCHEMBL12584352 0.83 LMNA (0.58) CYP1A2TP53LMNAGAARXFP1

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 17 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-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 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 (5 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 CYP1A2 3278/4885TP53 4822/4885LMNA 4440/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 CYP1A2 1057/4885TP53 4803/4885LMNA 904/4885
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 CYP1A2 2431/4885TP53 4400/4885LMNA 1619/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 CYP1A2 4040/4885TP53 4573/4885LMNA 3299/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 CYP1A2 2431/4885TP53 4400/4885LMNA 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.