SCHEMBL10114140

SCHEMBL10114140

CSc1cccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 6/20 0.76
▸ GAA P10253 1/20 0.68
▸ THRB P10828 1/20 0.65
▸ ALDH1A1 P00352 2/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.64
▸ TRPA1 O75762 2/20 0.63
▸ MAPT P10636 1/20 0.63
▸ HTT P42858 1/20 0.63
▸ CYP1A2 P05177 1/20 0.62
▸ TP53 P04637 3/20 0.62
▸ ALOX15 P16050 1/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ POLB P06746 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
SCHEMBL10114692 0.88 TRPA1 (0.74) RXFP1THRBALDH1A1SMN1; SMN2NPSR1
SCHEMBL10114655 0.87 RXFP1 (0.81) RXFP1GAATHRBALDH1A1SMN1; SMN2
SCHEMBL14754391 0.86 THRB (0.80) RXFP1GAATHRBALDH1A1SMN1; SMN2
SCHEMBL10114196 0.86 RXFP1 (0.79) RXFP1GAATHRBALDH1A1SMN1; SMN2
SCHEMBL10114557 0.86 RXFP1 (1.00) RXFP1GAATHRBALDH1A1TRPA1
SCHEMBL4533692 0.85 RXFP1 (0.78) RXFP1GAATHRBALDH1A1SMN1; SMN2
SCHEMBL18166574 0.84 RXFP1 (0.76) RXFP1GAATHRBALDH1A1TRPA1
SCHEMBL20079785 0.84 RXFP1 (0.76) RXFP1GAATHRBALDH1A1TRPA1
SCHEMBL12260299 0.84 RXFP1 (0.76) RXFP1GAATHRBALDH1A1TRPA1
SCHEMBL12260511 0.83 RXFP1 (0.75) RXFP1GAATHRBALDH1A1TRPA1

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-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-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 RXFP1 2802/4885GAA 4180/4885THRB 2238/4885
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 RXFP1 3119/4885GAA 1962/4885THRB 4543/4885
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 RXFP1 611/4885GAA 876/4885THRB 4409/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 RXFP1 33/4885GAA 2708/4885THRB 1242/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 RXFP1 611/4885GAA 876/4885THRB 4409/4885

“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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