SCHEMBL294043

SCHEMBL294043

CCCCCC(=O)Nc1c[c]c2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
LMNA P02545 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
SOAT2 O75908 1/20 0.50
SOAT1 P35610 1/20 0.50
POLB P06746 2/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
NAMPT P43490 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
ENPP2 Q13822 1/20 0.46
DGAT2 Q96PD7 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HDAC8 Q9BY41 4/20 0.45
HDAC3 O15379 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
CA1 P00915 1/20 0.45

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
SCHEMBL7203505 0.79 RAB9A (1.00) NPC1RAB9ALMNASMN1; SMN2SOAT2
SCHEMBL1897242 0.75 SOAT2 (0.79) NPC1RAB9ALMNASMN1; SMN2SOAT2
SCHEMBL28931481 0.75 RAB9A (0.91) NPC1RAB9ALMNASMN1; SMN2POLB
SCHEMBL8744584 0.74 LMNA (0.54) NPC1RAB9ALMNASMN1; SMN2SOAT2
SCHEMBL8743011 0.74 SOAT2 (0.82) LMNASOAT2SOAT1POLBHDAC1
SCHEMBL8742971 0.74 SOAT2 (0.82) LMNASOAT2SOAT1POLBHDAC1
SCHEMBL282938 0.74 SOAT2 (0.82) LMNASOAT2SOAT1POLBHDAC1
SCHEMBL8743258 0.74 SOAT2 (0.82) LMNASOAT2SOAT1POLBHDAC1
SCHEMBL9388173 0.74 SOAT2 (0.82) LMNASOAT2SOAT1POLBHDAC1
SCHEMBL8743155 0.74 SOAT2 (0.82) LMNASOAT2SOAT1POLBHDAC1

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 16 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-8598162-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-12-03 US disclosed
EP-2287162-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-05-09 EP disclosed
EP-2287161-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-05-09 EP disclosed
EP-2284169-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-03-14 EP 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
EP-1919907-B9 HETEROCYCLIC COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-01-18 EP 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-1919907-B1 HETEROCYCLIC COMPOUND OTSUKA PHARMA CO LTD (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-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-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
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-22 US disclosed
CN-101258147-A 4-piperazin-1-yl-4-benzo [ B ] thiophene derivatives for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 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 (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-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 NPC1 436/4885RAB9A 1250/4885LMNA 4573/4885
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 NPC1 436/4885RAB9A 1250/4885LMNA 4573/4885
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders GRIN2C, GRIN2B, PMP22 NPC1 436/4885RAB9A 1250/4885LMNA 4573/4885

“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.