SCHEMBL3774405

SCHEMBL3774405

COc1ccc2nc3cc(NC(C)=O)c(=O)cc-3oc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.58
HTT P42858 3/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 2/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
CYP2C19 P33261 3/20 0.44
DYRK1A Q13627 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 2/20 0.44
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
GAA P10253 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GLA P06280 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
MAPT P10636 3/20 0.42

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 0.85 APP (0.55) APPLMNACYP1A2NPC1RAB9A
SCHEMBL2614903 0.82 KDM4E (0.58) HTTLMNACYP1A2NPC1RAB9A
SCHEMBL3764052 0.78 APP (0.66) APPLMNACYP1A2NPC1RAB9A
SCHEMBL30456219 0.78 APP (0.66) APPLMNACYP1A2NPC1RAB9A
Exfoliazone SCHEMBL30080694 0.75 RAB9A (0.47) LMNACYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL31115697 0.74 APP (1.00) APPLMNACYP1A2NPC1RAB9A
SCHEMBL563392 0.74 APP (1.00) APPLMNACYP1A2NPC1RAB9A
SCHEMBL3773504 0.71 APP (0.53) APPCYP1A2RAB9ASMN1; SMN2CYP3A4
SCHEMBL1104937 0.71 APP (0.55) APPCYP1A2KDM4EALDH1A1HPGD
SCHEMBL11396698 0.70 ALDH1A1 (0.78) HTTLMNATSHRCYP1A2NPC1

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 4 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
WO-2009003625-A1 AMINOPHENOXAZINONE AS AN ANTI-TUMOUR AND ANTI-INFLAMMATORY AGENT EBERHARD-KARLS-UNIVERSITAET TUEBINGEN UNIVERSITAETSKILINIKUM (DE) 2009-01-08 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-20100324285-A1 ANTIINFLAMMATORY AGENT COMPRISING 2-AMINOPHENOL OR DERIVATIVE THEREOF AS ACTIVE INGREDIENT PTGES2, PTGS2, PTGES APP 920/4885HTT 2947/4885LMNA 4105/4885

“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.