SCHEMBL1065735

SCHEMBL1065735

Cn1c(=O)[nH]c2ncn(CC(=O)O)c2c1=O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPT P10636 1/20 0.59
TSHR P16473 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
ADORA2B P29275 2/20 0.58
CNOT7 Q9UIV1 9/20 0.48
PARN O95453 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CSNK2A2 P19784 2/20 0.42
CSNK2A1 P68400 2/20 0.42
ADORA2A P29274 1/20 0.41

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
SCHEMBL15384231 0.87 ALDH1A1 (0.57) LMNAALDH1A1CYP3A4MAPTTSHR
SCHEMBL659913 0.83 TSHR (0.52) LMNAALDH1A1CYP3A4MAPTTSHR
SCHEMBL4534193 0.82 LMNA (0.62) LMNAALDH1A1CYP3A4MAPTTSHR
SCHEMBL13217674 0.82 ALDH1A1 (0.66) LMNAALDH1A1CYP3A4MAPTTSHR
SCHEMBL14619429 0.80 ALDH1A1 (0.59) LMNAALDH1A1CYP3A4MAPTTSHR
SCHEMBL9300704 0.79 LMNA (0.57) LMNAALDH1A1CYP3A4MAPTTSHR
SCHEMBL9299928 0.78 LMNA (0.60) LMNAALDH1A1CYP3A4MAPTTSHR
SCHEMBL13659011 0.78 ALDH1A1 (0.60) LMNAALDH1A1CYP3A4MAPTTSHR
SCHEMBL3843737 0.78 ALDH1A1 (0.60) LMNAALDH1A1CYP3A4MAPTTSHR
SCHEMBL4532803 0.78 ALDH1A1 (0.60) LMNAALDH1A1CYP3A4MAPTTSHR

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 37 patents — showing the first 20. 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-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-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-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-20110009430-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ELI LILLY AND COMPANY 2011-01-13 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-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-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
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-10351567-B2 Methods and compositions for treating pain ACHE, COL2A1, MMP8 LMNA 1619/4885ALDH1A1 540/4885CYP3A4 3970/4885
US-20110009430-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 LMNA 1619/4885ALDH1A1 540/4885CYP3A4 3970/4885
US-20180093986-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 LMNA 1619/4885ALDH1A1 540/4885CYP3A4 3970/4885
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 LMNA 1619/4885ALDH1A1 540/4885CYP3A4 3970/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 LMNA 3299/4885ALDH1A1 313/4885CYP3A4 4673/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 LMNA 1619/4885ALDH1A1 540/4885CYP3A4 3970/4885

“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.