SCHEMBL4943635

SCHEMBL4943635

CC(C)(C)OC(=O)NNc1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.59
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
ALDH1A1 P00352 4/20 0.49
HPGD P15428 1/20 0.49
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 2/20 0.46
NQO2 P16083 1/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
METAP2 P50579 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
SCHEMBL2396852 0.84 ALDH1A1 (0.63) GAANPC1RAB9AKMT2AMEN1
SCHEMBL28775432 0.81 GAA (0.55) GAANPC1RAB9AKMT2AMEN1
SCHEMBL27801232 0.81 MEN1 (0.55) GAANPC1RAB9AKMT2AMEN1
SCHEMBL16774987 0.80 GAA (0.52) GAANPC1RAB9AKMT2AMEN1
SCHEMBL6852142 0.80 GAA (0.61) GAANPC1RAB9AKMT2AMEN1
SCHEMBL6636050 0.80 KDM4E (0.50) GAANPC1RAB9AKMT2AMEN1
SCHEMBL22989549 0.79 GAA (0.47) GAANPC1RAB9AKMT2AMEN1
SCHEMBL27622622 0.79 P2RX7 (0.58) GAANPC1RAB9AKMT2AMEN1
SCHEMBL22989775 0.78 GAA (0.46) GAANPC1RAB9AKMT2AMEN1
SCHEMBL1586390 0.78 GAA (0.51) GAANPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102762204-B Inhibitors of hematopoietic cell kinase (P59-HCK) and their use in the treatment of influenza infections RESPIVERT LTD 2014-11-19 CN disclosed
CN-102341384-B P38 map kinase inhibitors RESPIVERT LTD 2014-11-12 CN disclosed
CN-101945869-B Pyrido [2,3-B ] pyrazine-8-substituted compounds and uses thereof CANCER REC TECH LTD 2014-06-18 CN disclosed
CN-102762204-A Inhibitors of hematopoietic cell kinase (P59-HCK) and their use in the treatment of influenza infections RESPIVERT LTD 2012-10-31 CN disclosed
CN-102341384-A P38 map kinase inhibitors RESPIVERT LTD 2012-02-01 CN disclosed
CN-102333770-A P38 map kinase inhibitors RESPIVERT LTD 2012-01-25 CN disclosed
CN-101945869-A Pyrido [2,3-B ] pyrazine-8-substituted compounds and uses thereof CANCER REC TECH LTD 2011-01-12 CN disclosed
US-20080306260-A1 Method for Producing Aryl Amines, Aryl Ethers and Aryl Thioethers ARCHIMICA GMBH (DE) 2008-12-11 US disclosed
CN-1070490-C Indole derivatives GLAXO WELLCOME SPA (IT) 2001-09-05 CN disclosed
US-6100289-A ADMINISTERING AN ANALGESIC AMOUNT OF EXCITATORY AMINO ACID ANTAGONIST TO MAMMAL GLAXO WELLCOME SPA (IT) 2000-08-08 US disclosed
US-5962496-A CENTRAL NERVOUS SYSTEM DISORDERS GLAXO WELLCOME SPA (IT) 1999-10-05 US disclosed
US-5760059-A ANTAGONISTS OF EXCITATORY AMINO ACIDS, TREATMENT OF NEURODEGENERATIVE DISEASES GLAXO WELLCOME SPA (IT) 1998-06-02 US disclosed
CN-1133042-A Indole derivatives as NMDA antagonists GLAXO SPA (IT) 1996-10-09 CN disclosed
EP-0723541-A1 INDOLE DERIVATIVES AS NMDA ANTAGONISTS GLAXO WELLCOME S.p.A. (IT) 1996-07-31 EP disclosed
WO-1995010517-A1 INDOLE DERIVATIVES AS NMDA ANTAGONISTS GLAXO WELLCOME S.P.A. (IT) 1995-04-20 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-20080306260-A1 Method for Producing Aryl Amines, Aryl Ethers and Aryl Thioethers TST, TAAR1, TSHR GAA 4492/4885NPC1 2285/4885RAB9A 1405/4885

“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.