SCHEMBL3777988

SCHEMBL3777988

O=C(CO)Nc1cc2nc3ccccc3oc-2cc1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.55
ALDH1A1 P00352 5/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
KDM4E B2RXH2 4/20 0.55
POLB P06746 2/20 0.55
MAPT P10636 2/20 0.55
ALPL P05186 1/20 0.55
ALPI P09923 1/20 0.55
ALPG P10696 1/20 0.55
RECQL P46063 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NPC1 O15118 3/20 0.41
NR1I2 O75469 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL3773504 0.86 APP (0.53) RAB9AALDH1A1MEN1KMT2AKDM4E
SCHEMBL2614903 0.85 KDM4E (0.58) RAB9AALDH1A1MEN1KMT2AKDM4E
SCHEMBL2609270 0.74 MAPT (0.68) RAB9AALDH1A1MEN1KMT2AKDM4E
SCHEMBL9326807 0.74 MEN1 (0.63) RAB9AALDH1A1MEN1KMT2AKDM4E
Exfoliazone SCHEMBL30080694 0.73 RAB9A (0.47) RAB9AALDH1A1MEN1KMT2AKDM4E
SCHEMBL29359225 0.72 MAPT (1.00) RAB9AALDH1A1MEN1KMT2AKDM4E
SCHEMBL2609271 0.72 MAPT (0.68) RAB9AALDH1A1MEN1KMT2AKDM4E
SCHEMBL2609261 0.72 MAPT (1.00) RAB9AALDH1A1MEN1KMT2AKDM4E
SCHEMBL9326802 0.72 RAB9A (0.68) RAB9AALDH1A1MEN1KMT2AKDM4E
SCHEMBL3771904 0.71 APP (0.55) RAB9AALDH1A1MEN1KMT2AKDM4E

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 RAB9A 4632/4885ALDH1A1 535/4885MEN1 4848/4885

“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.