SCHEMBL10114518

SCHEMBL10114518

Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(Br)cc2F)n(C)c1=O

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.66
CYP1A2 P05177 1/20 0.65
KMT2A Q03164 1/20 0.64
RXFP1 Q9HBX9 6/20 0.62
TP53 P04637 2/20 0.62
ALOX15 P16050 1/20 0.62
THRB P10828 1/20 0.59
ALDH1A1 P00352 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
KDM4E B2RXH2 1/20 0.58
TSHR P16473 1/20 0.58
TRPA1 O75762 1/20 0.57
MAPT P10636 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
SCHEMBL10114717 0.89 CYP1A2 (0.69) POLBCYP1A2KMT2ARXFP1TP53
SCHEMBL10113842 0.89 CYP1A2 (0.76) POLBCYP1A2KMT2ARXFP1TP53
SCHEMBL10114228 0.88 POLB (0.81) POLBCYP1A2KMT2ARXFP1TP53
SCHEMBL10114342 0.88 POLB (0.81) POLBCYP1A2KMT2ARXFP1TP53
SCHEMBL12584350 0.86 CYP1A2 (0.78) POLBCYP1A2KMT2ARXFP1TP53
SCHEMBL10114119 0.85 POLB (0.70) POLBCYP1A2KMT2ARXFP1TP53
SCHEMBL12584273 0.84 CYP1A2 (0.70) POLBCYP1A2KMT2ARXFP1TP53
SCHEMBL10113830 0.83 TRPA1 (0.77) POLBCYP1A2KMT2ARXFP1TP53
SCHEMBL10114070 0.83 CYP1A2 (0.69) POLBCYP1A2KMT2ARXFP1TP53
SCHEMBL3796579 0.82 THRB (0.72) POLBCYP1A2KMT2ARXFP1TP53

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 15 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
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 POLB 1998/4885CYP1A2 2431/4885KMT2A 3581/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 POLB 4470/4885CYP1A2 4040/4885KMT2A 4097/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 POLB 1998/4885CYP1A2 2431/4885KMT2A 3581/4885

“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.