SCHEMBL7812685

SCHEMBL7812685

O=C1c2ccccc2C(=O)c2sc(-c3cccnc3)nc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.72
TDO2 P48775 5/20 0.72
ALOX5 P09917 1/20 0.54
USP2 O75604 1/20 0.52
USP1 O94782 1/20 0.52
USP8 P40818 1/20 0.52
OTUB1 Q96FW1 1/20 0.52
USP36 Q9P275 1/20 0.52
PTGS2 P35354 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 3/20 0.45
CYP19A1 P11511 2/20 0.44
DHODH Q02127 1/20 0.44
AXL P30530 1/20 0.44
PBRM1 Q86U86 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL21482245 0.90 IDO1 (0.58) IDO1TDO2ALOX5USP2USP1
SCHEMBL7808047 0.85 IDO1 (0.79) IDO1TDO2USP1PTGS2KDM4E
SCHEMBL7816954 0.84 IDO1 (1.00) IDO1TDO2PTGS2NPC1RAB9A
Sulfuric Acid SCHEMBL7813028 0.79 IDO1 (0.89) IDO1TDO2PTGS2NPC1RAB9A
SCHEMBL11466268 0.77 ALOX5 (0.69) ALOX5PTGS2NPC1RAB9AKDM4E
SCHEMBL8595445 0.77 IDO1 (0.82) IDO1TDO2TDP1
SCHEMBL7805767 0.77 IDO1 (0.71) IDO1TDO2ALOX5USP1PTGS2
SCHEMBL7805716 0.76 IDO1 (0.62) IDO1TDO2PTGS2DHODH
SCHEMBL7805763 0.75 IDO1 (0.69) IDO1TDO2USP1PTGS2NPC1
SCHEMBL7805851 0.74 IDO1 (0.63) IDO1TDO2USP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876356-B1 USE OF TRICYCLIC 1,4-DIHYDRO-1,4-DIOXO-1H-NAPHTHALENE DERIVATIVES, RESULTING NOVEL COMPOUNDS AND THERAPEUTICAL USE THEREOF INNOTHERA SA LAB (FR) 2001-10-31 EP claimed
US-10450281-B1 Compounds and methods for treating cancer DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-10-22 US disclosed
US-9725425-B1 Compounds and methods for treating cancer DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-08-08 US disclosed
US-9725425-B1 Compounds and methods for treating cancer DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-08-08 US disclosed
EP-0876356-B1 USE OF TRICYCLIC 1,4-DIHYDRO-1,4-DIOXO-1H-NAPHTHALENE DERIVATIVES, RESULTING NOVEL COMPOUNDS AND THERAPEUTICAL USE THEREOF INNOTHERA SA LAB (FR) 2001-10-31 EP disclosed
US-6262095-B1 TREATMENT OF ILLNESS ASSOCIATED WITH AN ALTERATION IN VENOUS FUNCTION AND/OR INFLAMMATORY EDEMA LABORATOIRE INNOTHERA (FR) 2001-07-17 US 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-10450281-B1 Compounds and methods for treating cancer USP8, USP2, NEDD8 IDO1 2561/4885TDO2 2554/4885ALOX5 4242/4885

“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.