SCHEMBL10274887

SCHEMBL10274887

CN1CCSC1c1ccc(N)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
USP2 O75604 1/20 0.49
CYP19A1 P11511 3/20 0.39
RIPK1 Q13546 1/20 0.37
MAPT P10636 4/20 0.37
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
ADRA2C P18825 1/20 0.37
GFER P55789 1/20 0.37
PTK2B Q14289 1/20 0.37
ESR2 Q92731 1/20 0.37
LMNA P02545 5/20 0.35
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL10274892 0.81 KDM4E (0.47) ALDH1A1MAPTKDM4EKMT2AGAA
SCHEMBL12204167 0.81 MAPT (0.47) ALDH1A1USP2RIPK1MAPTKMT2A
SCHEMBL28118683 0.81 KDM4E (0.47) ALDH1A1MAPTKDM4EKMT2AGAA
SCHEMBL155410 0.80 RIPK1 (0.54) ALDH1A1RIPK1MAPTKDM4ELMNA
SCHEMBL17713869 0.68 GFER (0.47) ALDH1A1KMT2AGFER
SCHEMBL27006230 0.66 POLB (0.43) ALDH1A1CYP19A1MAPTKDM4EKMT2A
SCHEMBL17713838 0.66 MEN1 (0.44) KDM4EKMT2AGAAMEN1TSHR
SCHEMBL3563193 0.65 CHRNB2 (0.67)
SCHEMBL18199098 0.64 SLC18A3 (0.38) ALDH1A1CYP19A1MAPTKDM4EKMT2A
SCHEMBL20459275 0.64 CHRNB2 (0.59) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 (1 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 ALDH1A1 408/4885USP2 4017/4885CYP19A1 2062/4885

“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.