SCHEMBL2513769

SCHEMBL2513769

O=C(O)c1ccc2c(c1)Oc1ccccc1N2

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.82
HTR2B P41595 2/20 0.63
HTR7 P34969 1/20 0.52
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TTR P02766 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL28406723 0.91 ALOX5 (0.67) ALOX5HTR2BHTR7ALDH1A1MAPK1
SCHEMBL2483714 0.90 ALOX5 (1.00) ALOX5HTR2BHTR7ALDH1A1MAPK1
SCHEMBL30812968 0.90 ALOX5 (1.00) ALOX5HTR2BHTR7ALDH1A1MAPK1
SCHEMBL28403621 0.88 ALOX5 (0.79) ALOX5HTR2BHTR7ALDH1A1MAPK1
Phenoxazine SCHEMBL6270610 0.82 ALOX5 (0.77) ALOX5HTR2BHTR7TDP1MAPT
SCHEMBL26115655 0.81 ALOX5 (0.84) ALOX5HTR2BHTR7MEN1KMT2A
SCHEMBL7206703 0.81 ALOX5 (0.55) ALOX5HTR2BHTR7ALDH1A1MAPK1
SCHEMBL28400911 0.80 ALOX5 (0.83) ALOX5HTR2BHTR7ALDH1A1MAPK1
Bicarbonate SCHEMBL6271245 0.79 ALOX5 (0.56) ALOX5HTR2BHTR7TDP1MAPT
SCHEMBL5115778 0.79 HTR2B (0.62) ALOX5HTR2BHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107106566-A Phacosclerosis inhibitor 学校法人庆应义塾 2017-08-29 CN claimed
CN-107106566-A Phacosclerosis inhibitor 学校法人庆应义塾 2017-08-29 CN disclosed
US-8076348-B2 Acylguanidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-12-13 US disclosed
EP-1923387-B1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2011-10-19 EP disclosed
US-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS COATS STEVEN J 2008-12-25 US disclosed
US-7432257-B2 Piperdinyl-phenoxazine and phenothiazine derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-07 US disclosed
EP-1923387-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
US-20060148823-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-06 US disclosed
CN-1019299-B Process for the preparation of 1-hydroxy-5-oxo-5H-pyrido [3, 2-a ] phenoxazine-3-carboxylic acid esters SENJU PHARMA CO (JP) 1992-12-02 CN disclosed
CN-87104927-A The preparation method of 1-hydroxyl-5-oxo-5H-pyrido [3,2-a] fen  piperazine-3-carboxylicesters 1988-02-03 CN 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 (3 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-20060148823-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 ALOX5 1363/4885HTR2B 409/4885HTR7 782/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 ALOX5 1363/4885HTR2B 409/4885HTR7 782/4885
US-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF HTR2B, HTR7, HTR3B ALOX5 540/4885HTR2B 1/4885HTR7 2/4885

“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.