SCHEMBL10113562

SCHEMBL10113562

COc1cc2c(cc1C1NC(=S)NC(C)=C1C(=O)N(C)C)CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 1.00
SMN1; SMN2 Q16637 2/20 0.76
RECQL P46063 1/20 0.51
ALDH1A1 P00352 7/20 0.48
GUSB P08236 5/20 0.46
DHFR P00374 1/20 0.45
GAA P10253 3/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL10113554 0.83 LMNA (0.71) LMNASMN1; SMN2RECQLALDH1A1GUSB
SCHEMBL10113553 0.77 LMNA (0.62) LMNASMN1; SMN2RECQLALDH1A1GUSB
SCHEMBL10113549 0.76 GAA (0.71) LMNASMN1; SMN2RECQLALDH1A1GUSB
SCHEMBL10113612 0.70 GUSB (0.71) LMNASMN1; SMN2ALDH1A1GUSBDHFR
SCHEMBL10113617 0.70 GUSB (0.71) LMNASMN1; SMN2RECQLALDH1A1GUSB
SCHEMBL10113568 0.69 ALDH1A1 (0.57) LMNASMN1; SMN2ALDH1A1GUSBDHFR
SCHEMBL10113600 0.69 GUSB (0.64) LMNASMN1; SMN2ALDH1A1GUSBDHFR
SCHEMBL10113569 0.68 ALDH1A1 (0.62) LMNAALDH1A1GUSBDHFRGAA
SCHEMBL10113548 0.68 GUSB (0.74) LMNAALDH1A1GUSBDHFRCA1
SCHEMBL10113631 0.67 DHFR (0.72) LMNASMN1; SMN2ALDH1A1GUSBDHFR

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 LMNA 1619/4885SMN1; SMN2 365/4885RECQL 1223/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 LMNA 3299/4885SMN1; SMN2 1002/4885RECQL 2021/4885
US-20140221401-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 LMNA 1619/4885SMN1; SMN2 365/4885RECQL 1223/4885

“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.