SCHEMBL10113978

SCHEMBL10113978

Cn1c(=O)c2c(ncn2CC(=O)Nc2nc3ccccc3s2)n(C)c1=O

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.73
▸ TSHR P16473 2/20 0.73
▸ ATM Q13315 1/20 0.73
▸ HSD17B10 Q99714 1/20 0.64
▸ RXFP1 Q9HBX9 6/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ HTT P42858 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ ALDH1A1 P00352 2/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ TP53 P04637 2/20 0.60
▸ PORCN Q9H237 1/20 0.59
▸ MAPT P10636 2/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL10113950 0.88 KDM4E (0.78) KDM4ETSHRATMHSD17B10RXFP1
SCHEMBL18166564 0.87 KDM4E (0.77) KDM4ETSHRATMHSD17B10RXFP1
SCHEMBL18166760 0.87 KDM4E (0.77) KDM4ETSHRATMHSD17B10RXFP1
SCHEMBL20161801 0.86 CYP1A2 (0.64) KDM4ETSHRATMHSD17B10RXFP1
SCHEMBL18166707 0.86 RXFP1 (0.68) KDM4ETSHRATMHSD17B10RXFP1
SCHEMBL18166615 0.86 CYP1A2 (0.66) KDM4ETSHRATMHSD17B10RXFP1
SCHEMBL18166769 0.85 KDM4E (0.72) KDM4ETSHRATMHSD17B10RXFP1
SCHEMBL10113944 0.85 KDM4E (0.85) KDM4ETSHRATMHSD17B10RXFP1
SCHEMBL18166543 0.85 KDM4E (1.00) KDM4ETSHRATMHSD17B10RXFP1
SCHEMBL18166688 0.85 KDM4E (0.73) KDM4ETSHRATMHSD17B10RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10351567-B2 Methods and compositions for treating pain ELI LILLY AND COMPANY (US) 2019-07-16 — — US disclosed
US-20180093986-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2018-04-05 — — US disclosed
US-20180093986-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2018-04-05 — — US disclosed
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-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 (6 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 KDM4E 2498/4885TSHR 3950/4885ATM 3975/4885
US-10351567-B2 Methods and compositions for treating pain ACHE, COL2A1, MMP8 KDM4E 3968/4885TSHR 4859/4885ATM 3324/4885
US-20180093986-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 KDM4E 3968/4885TSHR 4859/4885ATM 3324/4885
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 KDM4E 3968/4885TSHR 4859/4885ATM 3324/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 KDM4E 4737/4885TSHR 2721/4885ATM 3369/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 KDM4E 3968/4885TSHR 4859/4885ATM 3324/4885

“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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