SCHEMBL294286

SCHEMBL294286

[CH2]CN(C)C(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
EGFR P00533 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HSD11B1 P28845 1/20 0.47
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
LIMK2 P53671 1/20 0.45
MLYCD O95822 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL482541 0.84 KMT2A (0.50) KMT2AMEN1HDAC1HDAC6EGFR
SCHEMBL11210779 0.83 KMT2A (0.56) KMT2AMEN1HDAC1HDAC6EGFR
SCHEMBL3362719 0.81 KMT2A (0.55) KMT2AMEN1HDAC1HDAC6EGFR
SCHEMBL1003249 0.81 ALDH1A1 (0.58) KMT2AMEN1HDAC1HDAC6ALDH1A1
SCHEMBL7533635 0.80 ALDH1A1 (0.55) KMT2AMEN1HDAC1HDAC6ALDH1A1
SCHEMBL438243 0.79 KMT2A (0.53) KMT2AMEN1HDAC1HDAC6EGFR
SCHEMBL17629660 0.79 KMT2A (0.53) KMT2AMEN1HDAC1HDAC6EGFR
SCHEMBL2282162 0.79 KMT2A (0.53) KMT2AMEN1HDAC1HDAC6EGFR
SCHEMBL4585832 0.79 KMT2A (0.53) KMT2AMEN1HDAC1HDAC6ALDH1A1
SCHEMBL20033534 0.79 KMT2A (0.53) KMT2AMEN1HDAC1HDAC6EGFR

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
US-20020147331-A1 Methods for synthesis of oligonucleotides ISIS PHARMACEUTICALS, INC. 2002-10-10 US claimed
WO-2002062811-A2 IMPROVED METHODS FOR SYNTHESIS OF OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 2002-08-15 WO claimed
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
CN-102850336-A DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMA CO LTD 2013-01-02 CN disclosed
CN-102702182-A Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMA CO LTD 2012-10-03 CN disclosed
CN-102558140-A Derivatives of 4-piperazin-1-1-yl-4-benzo [b] thiophene suitable for the treatment of cns disorders OTSUKA PHARMA CO LTD 2012-07-11 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
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
CN-101258147-B 4-piperazin-1-yl-4-benzo [ B ] thiophene derivatives for the treatment of CNS disorders OTSUKA PHARMA CO LTD 2012-03-21 CN 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
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
US-20040082774-A1 Novel phosphate and thiophosphate protecting groups ISIS PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-20020147331-A1 Methods for synthesis of oligonucleotides ISIS PHARMACEUTICALS, INC. 2002-10-10 US disclosed
WO-2002062811-A2 IMPROVED METHODS FOR SYNTHESIS OF OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 2002-08-15 WO disclosed
WO-2000055179-A1 NOVEL PHOSPHATE AND THIOPHOSPHATE PROTECTING GROUPS ISIS PHARMACEUTICALS, INC. (US) 2000-09-21 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 (4 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 KMT2A 480/4885MEN1 2715/4885HDAC1 126/4885
US-20040082774-A1 Novel phosphate and thiophosphate protecting groups TYMP, MTAP, PPIP5K2 KMT2A 4615/4885MEN1 3835/4885HDAC1 3866/4885
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders GRIN2C, GRIN2B, PMP22 KMT2A 480/4885MEN1 2715/4885HDAC1 126/4885
US-20020147331-A1 Methods for synthesis of oligonucleotides RNGTT, TYMP, PNP KMT2A 3974/4885MEN1 2222/4885HDAC1 4184/4885

“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.