SCHEMBL510211

SCHEMBL510211

CCCCc1ncccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDPK1 O15530 2/20 0.41
HPGD P15428 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39

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
Hydrochloric Acid SCHEMBL28992846 0.98 CYP2C9 (0.42) CYP2C9CYP2C19CYP1A2TDP1L3MBTL1
SCHEMBL5369216 0.94 TDP1 (0.49) CYP2C9CYP2C19CYP1A2TDP1L3MBTL1
SCHEMBL27524862 0.93 TDP1 (0.47) CYP2C9CYP2C19CYP1A2TDP1L3MBTL1
SCHEMBL27550187 0.93 TDP1 (0.47) CYP2C9CYP2C19CYP1A2TDP1L3MBTL1
SCHEMBL5745538 0.93 TDP1 (0.47) CYP2C9CYP2C19CYP1A2TDP1L3MBTL1
SCHEMBL5748952 0.93 TDP1 (0.47) CYP2C9CYP2C19CYP1A2TDP1L3MBTL1
SCHEMBL5746124 0.93 TDP1 (0.47) CYP2C9CYP2C19CYP1A2TDP1L3MBTL1
SCHEMBL1093436 0.88 NOS2 (0.40) CYP2C9CYP2C19CYP1A2L3MBTL1PDPK1
SCHEMBL29806076 0.88 NOS2 (0.40) CYP2C9CYP2C19CYP1A2L3MBTL1PDPK1
SCHEMBL28506433 0.84 CYP1A2 (0.41) CYP2C9CYP2C19CYP1A2TDP1L3MBTL1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151252-A Iron death inhibitors diarylamine para-acetamides 维泰瑞隆有限公司 2022-10-04 CN disclosed
CN-103819459-B Anti-Viral Compounds 艾伯维巴哈马有限公司 2017-05-17 CN disclosed
CN-103172620-B Anti-viral compounds Abbott Labaoratories (BS) 2014-10-29 CN disclosed
CN-103819537-A Anti-viral compounds Abbott Labaoratories 2014-05-28 CN disclosed
CN-103819459-A Anti-Viral Compounds Abbott Labaoratories 2014-05-28 CN disclosed
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
CN-102333772-B Antiviral compounds ABBOTT LAB 2013-12-11 CN 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
CN-103172620-A Anti-viral compounds Abbott Labaoratories 2013-06-26 CN 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
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-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-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
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
CN-1886378-A 1,4-disubstituted isoquinilone derivatives as RAF-kinase inhibitors useful for the treatment of proliferative diseases NOVARTIS AG (CH) 2006-12-27 CN disclosed
CN-1379766-A Benzoic acid derivatives for the treatment of diabetes ASTRAZENECA AB (SE) 2002-11-13 CN 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-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 CYP2C9 707/4885CYP2C19 356/4885CYP1A2 103/4885
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders GRIN2C, GRIN2B, PMP22 CYP2C9 707/4885CYP2C19 356/4885CYP1A2 103/4885

“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.