SCHEMBL10114157

SCHEMBL10114157

Cc1sc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1-c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.60
▸ MAPT P10636 2/20 0.59
▸ THRB P10828 1/20 0.59
▸ LMNA P02545 2/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ CYP1A2 P05177 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ ATM Q13315 1/20 0.56
▸ RXFP1 Q9HBX9 4/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ KMT2A Q03164 1/20 0.55
▸ PORCN Q9H237 2/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ TRPA1 O75762 1/20 0.55
▸ RECQL P46063 1/20 0.54

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
SCHEMBL12584286 0.93 MAPT (0.61) MAPTTHRBLMNASMN1; SMN2CYP1A2
SCHEMBL18166585 0.91 KMT2A (0.60) POLBMAPTTHRBLMNASMN1; SMN2
SCHEMBL18166708 0.85 MAPT (0.60) MAPTTHRBLMNASMN1; SMN2CYP1A2
SCHEMBL18166637 0.84 HSD17B10 (0.67) POLBMAPTTHRBLMNASMN1; SMN2
SCHEMBL4527599 0.84 POLB (0.62) POLBMAPTTHRBLMNASMN1; SMN2
SCHEMBL3266103 0.83 MAPT (0.79) POLBMAPTTHRBLMNASMN1; SMN2
SCHEMBL18166668 0.82 HSD17B10 (0.64) MAPTLMNASMN1; SMN2CYP1A2KDM4E
SCHEMBL18166686 0.82 KMT2A (0.60) POLBMAPTTHRBLMNASMN1; SMN2
SCHEMBL18166713 0.82 MAPT (0.60) POLBMAPTTHRBLMNASMN1; SMN2
SCHEMBL27814929 0.81 RXFP1 (0.60) MAPTTHRBLMNASMN1; SMN2CYP1A2

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 14 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-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 (3 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 POLB 1998/4885MAPT 1311/4885THRB 4409/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 POLB 4470/4885MAPT 1967/4885THRB 1242/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 POLB 1998/4885MAPT 1311/4885THRB 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.

Send feedback