SCHEMBL1005337

SCHEMBL1005337

COC(=O)CN=C1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
MAPT P10636 6/20 0.46
HTT P42858 4/20 0.46
HPGD P15428 3/20 0.46
ALDH1A1 P00352 6/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
PTPRC P08575 2/20 0.42
PTPN13 Q12923 1/20 0.42
HCRTR1 O43613 1/20 0.42
TSHR P16473 1/20 0.41
MAPK10 P53779 1/20 0.41
PTK2B Q14289 1/20 0.41
NCOA1 Q15788 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL1005733 0.81 PTPRC (0.44) LMNAMAPTHTTHPGDALDH1A1
SCHEMBL15334547 0.79 KMT2A (0.43) LMNAMAPTHTTHPGDALDH1A1
SCHEMBL16473372 0.76 KMT2A (0.44) LMNAMAPTALDH1A1L3MBTL1KMT2A
SCHEMBL921332 0.70 ALDH1A1 (0.53) LMNAMAPTHTTHPGDALDH1A1
SCHEMBL478673 0.70 TSHR (0.48) LMNAMAPTHTTHPGDALDH1A1
O-Xylene SCHEMBL28327616 0.68 ALDH1A1 (0.38) LMNAMAPTHTTALDH1A1KDM4E
SCHEMBL921266 0.67 ALDH1A1 (0.57) LMNAMAPTHTTHPGDALDH1A1
SCHEMBL1675990 0.67 EGFR (0.56) MAPTGAAKMT2ATSHRPOLB
SCHEMBL8851854 0.67 ALDH1A1 (0.50) LMNAMAPTHTTALDH1A1L3MBTL1
SCHEMBL31538857 0.66 KMT2A (0.46) LMNAMAPTHPGDALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987495-B2 Diamino acid derivative starting material, manufacturing method thereof, and diamino acid derivative manufacturing method JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-03-24 US disclosed
US-8987495-B2 Diamino acid derivative starting material, manufacturing method thereof, and diamino acid derivative manufacturing method JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-03-24 US disclosed
US-8987495-B2 Diamino acid derivative starting material, manufacturing method thereof, and diamino acid derivative manufacturing method JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-03-24 US disclosed
EP-2269979-B1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD JAPAN SCIENCE & TECH AGENCY (JP) 2014-04-16 EP disclosed
EP-2269979-B1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD JAPAN SCIENCE & TECH AGENCY (JP) 2014-04-16 EP disclosed
US-20140012016-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-01-09 US disclosed
US-20140012016-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-01-09 US disclosed
US-20140012016-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-01-09 US disclosed
US-8563765-B2 Diamino acid derivative starting material, manufacturing method thereof, and diamino acid derivative manufacturing method JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-10-22 US disclosed
US-8563765-B2 Diamino acid derivative starting material, manufacturing method thereof, and diamino acid derivative manufacturing method JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-10-22 US disclosed
US-8563765-B2 Diamino acid derivative starting material, manufacturing method thereof, and diamino acid derivative manufacturing method JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-10-22 US disclosed
US-20110071310-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-03-24 US disclosed
US-20110071310-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-03-24 US disclosed
US-20110071310-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-03-24 US disclosed
EP-2269979-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD Japan Science and Technology Agency (JP) 2011-01-05 EP disclosed
EP-2269979-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD Japan Science and Technology Agency (JP) 2011-01-05 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 (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-20140012016-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD DAO, DDC, DCTD LMNA 2459/4885MAPT 1399/4885HTT 2562/4885
US-20110071310-A1 DIAMINO ACID DERIVATIVE STARTING MATERIAL, MANUFACTURING METHOD THEREOF, AND DIAMINO ACID DERIVATIVE MANUFACTURING METHOD DAO, DDC, DCTD LMNA 2459/4885MAPT 1399/4885HTT 2562/4885

“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.