SCHEMBL10114344

SCHEMBL10114344

Cn1c(=O)c2c(ncn2CC(=O)NCCSCc2ccccc2)n(C)c1=O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.61
▸ GAA P10253 1/20 0.61
▸ RXFP1 Q9HBX9 3/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ TP53 P04637 2/20 0.60
▸ CYP1A2 P05177 2/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.57
▸ ADORA2B P29275 2/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ PORCN Q9H237 1/20 0.55

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
SCHEMBL20161764 0.87 CYP1A2 (0.71) LMNAGAARXFP1MAPK1TP53
SCHEMBL5462777 0.83 RXFP1 (0.78) LMNAGAARXFP1MAPK1TP53
Ethylbenzene SCHEMBL28785055 0.82 LMNA (0.66) LMNAGAARXFP1MAPK1TP53
SCHEMBL18166590 0.81 CYP1A2 (0.69) LMNAGAARXFP1MAPK1TP53
SCHEMBL17744968 0.81 RXFP1 (0.75) LMNAGAARXFP1MAPK1TP53
SCHEMBL10114441 0.80 ALDH1A1 (0.76) RXFP1MAPK1TP53CYP1A2ALDH1A1
SCHEMBL10151088 0.79 ALDH1A1 (0.65) LMNAGAARXFP1MAPK1TP53
SCHEMBL18166647 0.79 CYP1A2 (0.66) LMNAGAARXFP1MAPK1TP53
SCHEMBL22085188 0.79 RXFP1 (0.61) LMNAGAARXFP1MAPK1TP53
SCHEMBL12584332 0.79 RXFP1 (0.61) LMNAGAARXFP1MAPK1TP53

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 16 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-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 (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-20110151018-A1 METHODS OF INSECT CONTROL TRPA1, TRPV1, TRPV2 LMNA 4440/4885GAA 4180/4885RXFP1 2802/4885
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 LMNA 1619/4885GAA 876/4885RXFP1 611/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 LMNA 3299/4885GAA 2708/4885RXFP1 33/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 LMNA 1619/4885GAA 876/4885RXFP1 611/4885

“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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