SCHEMBL10114083

SCHEMBL10114083

CCCCc1ccc2nc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)sc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.73
▸ TSHR P16473 1/20 0.73
▸ ATM Q13315 1/20 0.73
▸ HTT P42858 2/20 0.55
▸ POLB P06746 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ RXFP1 Q9HBX9 5/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ MAPT P10636 2/20 0.52
▸ CASP3 P42574 1/20 0.51
▸ SENP8 Q96LD8 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ SENP6 Q9GZR1 1/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51

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) KDM4ETSHRATMPOLBSMN1; SMN2
SCHEMBL18166760 0.85 KDM4E (0.77) KDM4ETSHRATMPOLBSMN1; SMN2
SCHEMBL18166564 0.85 KDM4E (0.77) KDM4ETSHRATMPOLBSMN1; SMN2
SCHEMBL18166543 0.85 KDM4E (1.00) KDM4ETSHRATMHTTPOLB
SCHEMBL18166690 0.84 KDM4E (0.53) KDM4ETSHRATMHTTPOLB
SCHEMBL10113944 0.84 KDM4E (0.85) KDM4ETSHRATMHTTPOLB
SCHEMBL10113978 0.83 KDM4E (0.73) KDM4ETSHRATMHTTSMN1; SMN2
SCHEMBL18166688 0.83 KDM4E (0.73) KDM4ETSHRATMSMN1; SMN2RXFP1
SCHEMBL18166537 0.83 TSHR (0.78) KDM4ETSHRATMSMN1; SMN2RXFP1
SCHEMBL18166769 0.82 KDM4E (0.72) KDM4ETSHRATMPOLBSMN1; SMN2

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-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-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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