SCHEMBL10276470

SCHEMBL10276470

COC(=O)NCC(=O)Nc1cc(C)ccn1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPK10 P53779 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TP53 P04637 2/20 0.51
TSHR P16473 1/20 0.51
MAPK8 P45983 1/20 0.51
GSK3A P49840 1/20 0.51
HIPK1 Q86Z02 1/20 0.51
RIOK2 Q9BVS4 1/20 0.51
SNRK Q9NRH2 1/20 0.51
POLB P06746 2/20 0.50

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
SCHEMBL10276719 0.85 POLB (0.55) SMN1; SMN2ALDH1A1MAPK10L3MBTL1RAB9A
SCHEMBL10276551 0.84 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1MAPK10L3MBTL1RAB9A
SCHEMBL10276435 0.83 TP53 (0.60) SMN1; SMN2ALDH1A1MAPK10L3MBTL1RAB9A
SCHEMBL10275016 0.83 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MAPK10L3MBTL1RAB9A
SCHEMBL12461245 0.81 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1MAPK10L3MBTL1RAB9A
SCHEMBL13922914 0.79 RAB9A (0.59) SMN1; SMN2ALDH1A1MAPK10L3MBTL1RAB9A
SCHEMBL12461473 0.79 RAB9A (0.59) SMN1; SMN2ALDH1A1MAPK10L3MBTL1RAB9A
SCHEMBL8240613 0.79 RAB9A (0.59) SMN1; SMN2ALDH1A1MAPK10L3MBTL1RAB9A
SCHEMBL5197796 0.77 MAPT (0.60) SMN1; SMN2ALDH1A1MAPK10L3MBTL1RAB9A
SCHEMBL12062262 0.77 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1MAPK10L3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
US-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. 2012-02-02 US disclosed
US-8071600-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-06 US disclosed
EP-2287161-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-23 EP disclosed
EP-2287162-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP disclosed
EP-2284169-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-16 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 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-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 SMN1; SMN2 311/4885ALDH1A1 408/4885MAPK10 483/4885
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 SMN1; SMN2 311/4885ALDH1A1 408/4885MAPK10 483/4885

“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.