SCHEMBL16799707

SCHEMBL16799707

CN(C)C(=O)CCC/C=C\c1cccc(C(=O)NCCC(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
ITGB3 P05106 2/20 0.41
ITGA2B P08514 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
SIGMAR1 Q99720 4/20 0.40
TMEM97 Q5BJF2 3/20 0.40
ITGA2 P17301 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.38
TBXAS1 P24557 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NAMPT P43490 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL16799709 1.00 LMNA (0.42) LMNAITGB3ITGA2BSMN1; SMN2SIGMAR1
SCHEMBL20810530 0.92 LMNA (0.41) LMNAITGB3ITGA2BSMN1; SMN2SIGMAR1
SCHEMBL16799902 0.90 SMN1; SMN2 (0.41) LMNASMN1; SMN2SIGMAR1TMEM97KMT2A
SCHEMBL16799903 0.90 SMN1; SMN2 (0.41) LMNASMN1; SMN2SIGMAR1TMEM97KMT2A
SCHEMBL17977261 0.90 SMN1; SMN2 (0.41) LMNASMN1; SMN2SIGMAR1TMEM97KMT2A
SCHEMBL16800065 0.89 SMN1; SMN2 (0.40) LMNASMN1; SMN2SIGMAR1TMEM97KMT2A
SCHEMBL16800064 0.89 SMN1; SMN2 (0.40) LMNASMN1; SMN2SIGMAR1TMEM97KMT2A
SCHEMBL16800066 0.89 SMN1; SMN2 (0.40) LMNASMN1; SMN2SIGMAR1TMEM97KMT2A
SCHEMBL2763234 0.89 SMN1; SMN2 (0.40) LMNASMN1; SMN2SIGMAR1TMEM97KMT2A
SCHEMBL2763233 0.89 SMN1; SMN2 (0.40) LMNASMN1; SMN2SIGMAR1TMEM97KMT2A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3077369-B1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS AND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS UCL BUSINESS PLC (GB) 2019-03-13 EP disclosed
EP-3077369-B1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS AND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS UCL BUSINESS PLC (GB) 2019-03-13 EP disclosed
US-20180116983-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION CANBEX THERAPEUTICS LIMITED (GB) 2018-05-03 US disclosed
US-20180116983-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION CANBEX THERAPEUTICS LIMITED (GB) 2018-05-03 US disclosed
US-20180116983-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION CANBEX THERAPEUTICS LIMITED (GB) 2018-05-03 US disclosed
US-9908843-B2 Benzamide derivatives useful in the treatment of muscular disorders and pain and for controlling spasticity and tremors CANBEX THERAPEUTICS LIMITED (GB) 2018-03-06 US disclosed
US-9908843-B2 Benzamide derivatives useful in the treatment of muscular disorders and pain and for controlling spasticity and tremors CANBEX THERAPEUTICS LIMITED (GB) 2018-03-06 US disclosed
US-9908843-B2 Benzamide derivatives useful in the treatment of muscular disorders and pain and for controlling spasticity and tremors CANBEX THERAPEUTICS LIMITED (GB) 2018-03-06 US disclosed
EP-3256112-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION Canbex Therapeutics Limited (GB) 2017-12-20 EP disclosed
US-20160304441-A1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS AND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS UCL BUSINESS PLC (GB) 2016-10-20 US disclosed
US-20160304441-A1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS AND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS UCL BUSINESS PLC (GB) 2016-10-20 US disclosed
US-20160304441-A1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS AND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS UCL BUSINESS PLC (GB) 2016-10-20 US disclosed
EP-3077369-A1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERSAND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS Canbex Therapeutics Limited (GB) 2016-10-12 EP disclosed
WO-2016128771-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION CANBEX THERAPEUTICS LIMITED (GB) 2016-08-18 WO disclosed
WO-2016128771-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION CANBEX THERAPEUTICS LIMITED (GB) 2016-08-18 WO disclosed
WO-2015082938-A1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERSAND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS CANBEX THERAPEUTICS LIMITED (GB) 2015-06-11 WO disclosed
WO-2015082938-A1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERSAND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS CANBEX THERAPEUTICS LIMITED (GB) 2015-06-11 WO 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-20180116983-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION HCN4, KCNJ4, KCNQ4 LMNA 2664/4885ITGB3 3271/4885ITGA2B 4010/4885
US-20160304441-A1 BENZAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS AND PAIN AND FOR CONTROLLING SPASTICITY AND TREMORS MUSK, MYLK2, CBR3 LMNA 2797/4885ITGB3 1652/4885ITGA2B 1757/4885

“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.