SCHEMBL3773504

SCHEMBL3773504

O=C(CO)Nc1cc2nc3ccc(O)cc3oc-2cc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.53
SNCA P37840 1/20 0.45
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALPL P05186 1/20 0.39
POLB P06746 1/20 0.39
ALPI P09923 1/20 0.39
MAPT P10636 1/20 0.39
ALPG P10696 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ESR1 P03372 4/20 0.38
ESR2 Q92731 4/20 0.38
QPCT Q16769 2/20 0.36
CYP19A1 P11511 2/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36

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
SCHEMBL3771904 0.86 APP (0.55) APPSNCAALDH1A1KDM4EMEN1
SCHEMBL3777988 0.86 RAB9A (0.55) ALDH1A1KDM4EMEN1KMT2AALPL
SCHEMBL3776968 0.75 ALDH1A1 (0.68) APPSNCAALDH1A1KDM4EMEN1
SCHEMBL327849 0.75 APP (0.63) APPSNCAALDH1A1KDM4EMEN1
SCHEMBL532189 0.74 APP (0.55) APPSNCAALDH1A1KDM4EMEN1
SCHEMBL24767122 0.72 APP (0.53) APPSNCAALDH1A1KDM4EMEN1
SCHEMBL3774405 0.71 APP (0.58) APPALDH1A1KDM4EMEN1KMT2A
SCHEMBL2614903 0.71 KDM4E (0.58) ALDH1A1KDM4EMEN1KMT2AALPL
Alcohol SCHEMBL6810203 0.70 APP (0.86) APPSNCAMEN1KMT2APOLB
SCHEMBL8066 0.70 APP (1.00) APPSNCAMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009003625-A1 AMINOPHENOXAZINONE AS AN ANTI-TUMOUR AND ANTI-INFLAMMATORY AGENT EBERHARD-KARLS-UNIVERSITAET TUEBINGEN UNIVERSITAETSKILINIKUM (DE) 2009-01-08 WO claimed
US-20100324285-A1 ANTIINFLAMMATORY AGENT COMPRISING 2-AMINOPHENOL OR DERIVATIVE THEREOF AS ACTIVE INGREDIENT KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2010-12-23 US disclosed
EP-2098228-A1 ANTIINFLAMMATORY AGENT COMPRISING 2-AMINOPHENOL OR DERIVATIVE THEREOF AS ACTIVE INGREDIENT Kabushiki Kaisha Hayashibara Seibutsu Kagaku Kenkyujo (JP) 2009-09-09 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-20100324285-A1 ANTIINFLAMMATORY AGENT COMPRISING 2-AMINOPHENOL OR DERIVATIVE THEREOF AS ACTIVE INGREDIENT PTGES2, PTGS2, PTGES APP 920/4885SNCA 3459/4885ALDH1A1 535/4885

“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.