SCHEMBL6413099

SCHEMBL6413099

COc1ccc(NCC(O)CO)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.61
GAA P10253 8/20 0.61
ALDH1A1 P00352 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
HTT P42858 2/20 0.61
MAPK1 P28482 2/20 0.61
HPGD P15428 1/20 0.61
L3MBTL1 Q9Y468 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
AOC3 Q16853 1/20 0.45

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
SCHEMBL7299666 0.86 MAPT (0.58) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL10678167 0.83 MAPT (0.55) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL6571874 0.82 MAPT (0.45) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL28367079 0.81 MAPT (0.61) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL12126047 0.79 MAPT (0.44) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL26929021 0.79 MAPT (0.50) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL23587807 0.78 MAPT (0.64) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL20552597 0.78 MAPT (0.77) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL16671107 0.77 MAPT (0.63) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL11502052 0.77 GAA (0.68) MAPTGAAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0289782-A1 Use of 2,6-dinitroanilin derivatives in hair dyeing compositions and new 2,6-dinitroanilin derivatives Wella Aktiengesellschaft (DE) 1988-11-09 EP claimed
US-20050065140-A1 Serotonine reuptake inhibitor SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2005-03-24 US disclosed
EP-1466901-A1 SEROTONINE REUPTAKE INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-10-13 EP disclosed
EP-0964863-B1 OXAZOLIDINES AS 5-HT2A-ANTAGONISTS MERCK PATENT GMBH (DE) 2003-05-21 EP disclosed
US-6462056-B1 SUCH AS 3-(4-CHLOROPHENYL)-5-(4-(3-INDOLYL)-1-PIPERIDINYL-METHYL)OXAZOLIDIN-2-ONE; 5-HT2A ANTAGONISTS WITH 5-HT REUPTAKE INHIBITING, ANTIDEPRESSANT OR ANXIOLYTIC EFFECT MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2002-10-08 US disclosed
EP-0964863-A1 OXAZOLIDINES AS 5-HT2A-ANTAGONISTS MERCK PATENT GmbH (DE) 1999-12-22 EP disclosed
WO-1998038189-A1 OXAZOLIDINES AS 5-HT2A-ANTAGONISTS MERCK PATENT GMBH (DE) 1998-09-03 WO disclosed
EP-0635505-B1 4-Aryloxy- and 4-arylthiopiperidine derivatives MERCK PATENT GMBH (DE) 1997-10-15 EP disclosed
US-5561145-A 4-aryloxy- and 4-arylthiopiperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESHRANKTER HAFTUNG (DE) 1996-10-01 US disclosed
EP-0635505-A1 4-Aryloxy- and 4-arylthiopiperidine derivatives MERCK PATENT GmbH (DE) 1995-01-25 EP disclosed
EP-0300272-B1 OXAZOLIDINONES MERCK PATENT GmbH (DE) 1992-09-16 EP disclosed
US-4970217-A NEUROLEPTIC MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-11-13 US disclosed
EP-0300272-A1 Oxazolidinones MERCK PATENT GmbH (DE) 1989-01-25 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 (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-20050065140-A1 Serotonine reuptake inhibitor HTR1A, SLC6A4, SLC6A2 MAPT 1010/4885GAA 1552/4885ALDH1A1 828/4885

“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.