SCHEMBL1844342

SCHEMBL1844342

O=C(O)C1CCCCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
MCL1 Q07820 1/20 0.49
PIN1 Q13526 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX1 P07099 1/20 0.47
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CAMK2A Q9UQM7 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ANO1 Q5XXA6 1/20 0.44
RAB9A P51151 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
SCHEMBL242244 0.95 HTT (0.54) HTTPIN1SMN1; SMN2MEN1KMT2A
SCHEMBL2792830 0.95 HTT (0.54) HTTPIN1SMN1; SMN2MEN1KMT2A
SCHEMBL29484110 0.95 HTT (0.54) HTTPIN1SMN1; SMN2MEN1KMT2A
SCHEMBL29706163 0.95 HTT (0.54) HTTPIN1SMN1; SMN2MEN1KMT2A
SCHEMBL29608780 0.95 HTT (0.54) HTTPIN1SMN1; SMN2MEN1KMT2A
SCHEMBL2796237 0.95 HTT (0.54) HTTPIN1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL2999173 0.93 HTT (0.53) HTTPIN1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL8944136 0.93 HTT (0.53) HTTPIN1SMN1; SMN2MEN1KMT2A
SCHEMBL907688 0.87 PIN1 (0.60) HTTPIN1TSHRNPSR1
SCHEMBL2790690 0.87 PIN1 (0.60) HTTPIN1TSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017123518-A1 AMINOTRIAZOLE IMMUNOMODULATORS FOR TREATING AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2017-07-20 WO disclosed
WO-2017123518-A1 AMINOTRIAZOLE IMMUNOMODULATORS FOR TREATING AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2017-07-20 WO disclosed
EP-1318140-B9 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-05-21 EP disclosed
US-8198454-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-12 US disclosed
EP-1318140-B1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-05-18 EP disclosed
US-7855297-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-12-21 US disclosed
US-20100168102-A9 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2010-07-01 US disclosed
US-20100168102-A9 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2010-07-01 US disclosed
US-20100168102-A9 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2010-07-01 US disclosed
US-20100041656-A1 Novel amide derivatives and medicinal use thereof NAKAMURA MITSUBARU 2010-02-18 US disclosed
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2009-05-07 US disclosed
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2009-05-07 US disclosed
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2009-05-07 US disclosed
WO-2007006546-A1 AMIDE DERIVATIVES AS KINASE INHIBITORS DEVGEN N.V. (BE) 2007-01-18 WO disclosed
US-7034051-B2 Fused bicyclic carboxamide derivatives and methods of their use ADOLOR CORPORATION (US) 2006-04-25 US disclosed
WO-2005023799-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-03-17 WO disclosed
US-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-03-10 US disclosed
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-15 US disclosed
EP-1318140-A1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF UGS Mitsubishi Pharma Corporation (JP) 2003-06-11 EP 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 (5 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-20100168102-A9 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 HTT 1022/4885MCL1 1531/4885PIN1 1717/4885
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 HTT 1022/4885MCL1 1531/4885PIN1 1717/4885
US-20100041656-A1 Novel amide derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 HTT 4512/4885MCL1 1619/4885PIN1 1010/4885
US-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CPS1 HTT 2635/4885MCL1 1043/4885PIN1 2503/4885
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs C5AR1, C5AR2, C1S HTT 4524/4885MCL1 1169/4885PIN1 1393/4885

“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.