SCHEMBL7816679

SCHEMBL7816679

Cc1nc2c([nH]1)C(=O)c1ccccc1C2=O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 15/20 0.55
TDO2 P48775 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
USP8 P40818 1/20 0.49
USP7 Q93009 1/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
APAF1 O14727 1/20 0.48
RAB9A P51151 1/20 0.48
PAX8 Q06710 1/20 0.48

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
SCHEMBL16887852 0.87 SMN1; SMN2 (0.49) IDO1KDM4EHPGDSMN1; SMN2USP8
SCHEMBL24499470 0.78 NPC1 (0.51) IDO1TDO2KDM4EHPGDSMN1; SMN2
SCHEMBL7816254 0.75 IDO1 (0.79) IDO1TDO2
SCHEMBL6237073 0.74 POLB (0.58) IDO1TDO2POLBALDH1A1RXFP1
SCHEMBL20867489 0.74 SMN1; SMN2 (0.39) KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL15045587 0.74 USP8 (0.49) KDM4EHPGDSMN1; SMN2USP8USP7
SCHEMBL28365240 0.73 IDO1 (0.60) IDO1TDO2
SCHEMBL12327994 0.73 LMNA (0.42) KDM4EHPGDSMN1; SMN2USP8USP7
SCHEMBL28361454 0.73 IDO1 (0.61) IDO1TDO2USP8USP7
SCHEMBL28365313 0.73 IDO1 (0.74) IDO1TDO2KDM4EALDH1A1RAB9A

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-115710230-A Naphtho [2,3-d ] imidazole-4, 9-dione derivative used as positive electrode of organic lithium ion battery and preparation method thereof 常州大学 2023-02-24 CN claimed
US-20230101042-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES U.S. DEPARTMENT OF ENERGY 2023-03-30 US disclosed
CN-110680813-B Use of naphthoquinone derivatives as IDO1 and/or TDO inhibitors 北京大学 2023-03-10 CN disclosed
US-20220185826-A1 Tandem Carbene Phosphors THE UNIVERSITY OF SOUTHERN CALIFORNIA 2022-06-16 US disclosed
US-20220181562-A1 Tandem-Carbene Phosphors THE UNIVERSITY OF SOUTHERN CALIFORNIA 2022-06-09 US disclosed
CN-110680813-A Use of naphthoquinone derivatives as IDO1 and/or TDO inhibitors 北京大学 2020-01-14 CN disclosed
US-20170077418-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2017-03-16 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
US-6174918-B1 INHIBITING TUMOR CELL GROWTH SENSITIVE TO NAPHTHOQUINONE DERIVATIVE IN MAMMAL BY ADMINISTERING 2,3-DISUBSTITUTED NAPHTHOQUINONE COMPOUND THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2001-01-16 US disclosed
WO-1997030022-A1 NAPHTHOQUINONE ANTITUMOR COMPOUND AND METHOD THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1997-08-21 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 (4 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-20170077418-A1 ORGANIC ELECTROLUMINESCENT DEVICE EPCAM, L1CAM, LAGE3 IDO1 3719/4885TDO2 1506/4885KDM4E 2425/4885
US-20220185826-A1 Tandem Carbene Phosphors OCIAD1, CCND2, OCIAD2 IDO1 455/4885TDO2 132/4885KDM4E 4580/4885
US-20220181562-A1 Tandem-Carbene Phosphors OCIAD2, OCIAD1, DUOX2 IDO1 638/4885TDO2 827/4885KDM4E 4540/4885
US-20230101042-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, AOC2 IDO1 2179/4885TDO2 3025/4885KDM4E 3672/4885

“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.