SCHEMBL4902020

SCHEMBL4902020

c1ccc2nc3c(ccc4cc5ccccc5nc43)cc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
HPGD P15428 3/20 0.70
GLA P06280 2/20 0.70
MAPT P10636 2/20 0.70
ACHE P22303 1/20 0.70
HTR3A P46098 1/20 0.56
NCF1 P14598 3/20 0.46
CYP1A2 P05177 2/20 0.46
NOS2 P35228 1/20 0.46
BACE1 P56817 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
NQO2 P16083 1/20 0.46
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
STAT3 P40763 1/20 0.45
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 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
SCHEMBL30141893 0.86 ALDH1A1 (0.58) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL732208 0.86 ALDH1A1 (0.58) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL12446825 0.85 ALDH1A1 (0.52) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL12446467 0.85 CYP1A2 (0.61) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL5476360 0.85 CCR1 (0.61) ALDH1A1HPGDGLAMAPTACHE
Hydrochloric Acid SCHEMBL8321996 0.84 ALDH1A1 (0.56) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL18631801 0.84 ALDH1A1 (0.56) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL17898421 0.84 ALDH1A1 (0.55) ALDH1A1HPGDGLAMAPTACHE
Acridine SCHEMBL1772714 0.83 ALDH1A1 (1.00) ALDH1A1HPGDGLAMAPTACHE
Acridine SCHEMBL29352289 0.83 ALDH1A1 (1.00) ALDH1A1HPGDGLAMAPTACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11884685-B2 Rhenium complexes and methods of use for treating cancer CORNELL UNIVERSITY (US) 2024-01-30 US disclosed
US-20230284527-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2023-09-07 US disclosed
US-20230284527-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2023-09-07 US disclosed
US-20220220617-A1 TIN PLATING BATH AND A METHOD FOR DEPOSITING TIN OR TIN ALLOY ONTO A SURFACE OF A SUBSTRATE ATOTECH DEUTSCHLAND GMBH (DE) 2022-07-14 US disclosed
US-20210317151-A1 RHENIUM COMPLEXES AND METHODS OF USE FOR TREATING CANCER UNITED STATES GOVERNMENT 2021-10-14 US disclosed
US-10973849-B2 Rhenium complexes and methods of use for treating cancer CORNELL UNIVERSITY (US) 2021-04-13 US disclosed
EP-3770298-A1 TIN PLATING BATH AND A METHOD FOR DEPOSITING TIN OR TIN ALLOY ONTO A SURFACE OF A SUBSTRATE ATOTECH Deutschland GmbH (DE) 2021-01-27 EP disclosed
US-20190175645-A1 RHENIUM COMPLEXES AND METHODS OF USE FOR TREATING CANCER CORNELL UNIVERSITY (US) 2019-06-13 US disclosed
US-10038150-B2 Metal complexes for use as dopants and other uses ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2018-07-31 US disclosed
US-10038150-B2 Metal complexes for use as dopants and other uses ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2018-07-31 US disclosed
WO-2017223428-A1 RHENIUM COMPLEXES AND METHODS OF USE FOR TREATING CANCER CORNELL UNIVERSITY (US) 2017-12-28 WO disclosed
US-20160233439-A1 METAL COMPLEXES FOR USE AS DOPANTS AND OTHER USES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) EPFL-TTO (CH) 2016-08-11 US disclosed
US-20160233439-A1 METAL COMPLEXES FOR USE AS DOPANTS AND OTHER USES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) EPFL-TTO (CH) 2016-08-11 US disclosed
US-20080306315-A1 Metal-Organic Framework Catalysts and Their Use in Hydrocarbon Transformation UNIVERSITETET I OSLO (NO) 2008-12-11 US disclosed
EP-1909958-A2 METAL-ORGANIC FRAMEWORK CATALYSTS AND THEIR USE IN HYDROCARBON TRANSFORMATION Universitetet I Oslo (NO) 2008-04-16 EP disclosed
US-7183010-B2 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK CORPORATION (US) 2007-02-27 US disclosed
WO-2007022307-A2 LIGANDS FOR METAL IONS AND METHODS FOR MAKING AND USING THE SAME UNIVERSITY OF NORTH CAROLINA AT WILMINGTON (US) 2007-02-22 WO disclosed
WO-2007007113-A2 METAL-ORGANIC FRAMEWORK CATALYSTS AND THEIR USE IN HYDROCARBON TRANSFORMATION UNIVERSITETET I OSLO (NO) 2007-01-18 WO disclosed
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 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 (7 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-20080306315-A1 Metal-Organic Framework Catalysts and Their Use in Hydrocarbon Transformation POF1B, PMS2, IDH1 ALDH1A1 1365/4885HPGD 543/4885GLA 3470/4885
US-10038150-B2 Metal complexes for use as dopants and other uses SOD1, DDT, SOD3 ALDH1A1 3311/4885HPGD 758/4885GLA 3364/4885
US-20190175645-A1 RHENIUM COMPLEXES AND METHODS OF USE FOR TREATING CANCER PHOSPHO1, RB1, RRM2 ALDH1A1 4682/4885HPGD 2857/4885GLA 2974/4885
US-10973849-B2 Rhenium complexes and methods of use for treating cancer PHOSPHO1, RB1, RRM2 ALDH1A1 4682/4885HPGD 2857/4885GLA 2974/4885
US-20160233439-A1 METAL COMPLEXES FOR USE AS DOPANTS AND OTHER USES SOD1, DDT, SOD3 ALDH1A1 3311/4885HPGD 758/4885GLA 3364/4885
US-20210317151-A1 RHENIUM COMPLEXES AND METHODS OF USE FOR TREATING CANCER ERLIN1, EGFR, ESRRG ALDH1A1 3844/4885HPGD 3213/4885GLA 4135/4885
US-11884685-B2 Rhenium complexes and methods of use for treating cancer ERLIN1, EGFR, ESRRG ALDH1A1 3844/4885HPGD 3213/4885GLA 4135/4885

“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.