SCHEMBL10113757

SCHEMBL10113757

CCOC(=O)C1=C(CN2CCc3ccccc32)NC(=O)NC1c1cccc([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 1.00
HTT P42858 4/20 1.00
NPSR1 Q6W5P4 2/20 1.00
POLB P06746 1/20 1.00
ALDH1A1 P00352 10/20 0.75
GAA P10253 5/20 0.75
SMN1; SMN2 Q16637 3/20 0.75
L3MBTL1 Q9Y468 1/20 0.75
PKM P14618 2/20 0.71
RXFP1 Q9HBX9 1/20 0.71
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
KDM4E B2RXH2 2/20 0.60
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
USP2 O75604 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MITF O75030 1/20 0.52

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
SCHEMBL14418259 0.85 MAPT (0.75) MAPTHTTNPSR1POLBALDH1A1
SCHEMBL10113781 0.83 MAPT (1.00) MAPTHTTNPSR1POLBALDH1A1
SCHEMBL10113752 0.79 MAPT (0.85) MAPTHTTNPSR1POLBALDH1A1
SCHEMBL3394058 0.79 ALDH1A1 (0.71) MAPTHTTPOLBALDH1A1GAA
SCHEMBL19752716 0.79 ALDH1A1 (0.71) MAPTHTTPOLBALDH1A1GAA
SCHEMBL29531249 0.79 ALDH1A1 (0.71) MAPTHTTPOLBALDH1A1GAA
SCHEMBL3395226 0.72 ALDH1A1 (0.67) MAPTHTTNPSR1POLBALDH1A1
SCHEMBL10113794 0.71 ALDH1A1 (1.00) MAPTHTTNPSR1POLBALDH1A1
SCHEMBL392493 0.71 MAPT (0.84) MAPTHTTNPSR1POLBALDH1A1
SCHEMBL7437010 0.70 ALDH1A1 (0.77) MAPTPOLBALDH1A1L3MBTL1MEN1

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 6 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-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-8178542-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2012-05-15 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 MAPT 1311/4885HTT 1892/4885NPSR1 401/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 MAPT 1311/4885HTT 1892/4885NPSR1 401/4885

“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.