SCHEMBL10114493

SCHEMBL10114493

CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 1.00
▸ TP53 P04637 5/20 0.74
▸ CYP1A2 P05177 1/20 0.73
▸ GAA P10253 1/20 0.69
▸ ALOX15 P16050 1/20 0.69
▸ ALDH1A1 P00352 3/20 0.65
▸ RXFP1 Q9HBX9 3/20 0.64
▸ KDM4E B2RXH2 2/20 0.63
▸ MAPT P10636 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ NPSR1 Q6W5P4 1/20 0.63
▸ HPGD P15428 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ KMT2A Q03164 1/20 0.60
▸ POLB P06746 1/20 0.60

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 0.91 TSHR (0.83) TSHRTP53CYP1A2ALOX15ALDH1A1
SCHEMBL10114247 0.87 CYP1A2 (0.77) TSHRTP53CYP1A2ALOX15ALDH1A1
SCHEMBL10114474 0.84 CYP1A2 (1.00) TSHRTP53CYP1A2ALOX15ALDH1A1
SCHEMBL10114577 0.84 TSHR (0.73) TSHRTP53CYP1A2ALOX15ALDH1A1
SCHEMBL10114741 0.83 RXFP1 (0.83) TSHRTP53CYP1A2GAAALOX15
SCHEMBL19036651 0.83 TSHR (0.70) TSHRTP53CYP1A2GAAALOX15
SCHEMBL10114488 0.82 ALOX15 (1.00) TSHRTP53CYP1A2GAAALOX15
SCHEMBL12584350 0.81 CYP1A2 (0.78) TSHRTP53CYP1A2ALOX15ALDH1A1
SCHEMBL10113906 0.81 RXFP1 (0.84) TSHRTP53CYP1A2ALOX15ALDH1A1
SCHEMBL10114399 0.81 TSHR (0.68) TSHRTP53CYP1A2ALOX15ALDH1A1

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
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-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC (US) 2013-11-14 — — 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 (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-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 TSHR 4745/4885TP53 1505/4885CYP1A2 1483/4885
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 TSHR 4859/4885TP53 4400/4885CYP1A2 2431/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 TSHR 2721/4885TP53 4573/4885CYP1A2 4040/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 TSHR 4859/4885TP53 4400/4885CYP1A2 2431/4885

“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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