SCHEMBL923478

SCHEMBL923478

c1ccc(-c2ccnc(-c3ccccn3)c2-c2ccccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.47
KDM4E B2RXH2 5/20 0.46
LMNA P02545 4/20 0.46
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
METAP1 P53582 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
DOHH Q9BU89 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
NPY5R Q15761 1/20 0.45
CYP2A6 P11509 1/20 0.43
KDR P35968 1/20 0.42
MCL1 Q07820 2/20 0.41
TP53 P04637 4/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41

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
SCHEMBL29942138 1.00 TGFBR1 (0.47) TGFBR1KDM4ELMNACCR1CCR5
SCHEMBL787679 0.95 TGFBR1 (0.46) TGFBR1KDM4ELMNACCR1CCR5
Hydrochloric Acid SCHEMBL1572132 0.93 TGFBR1 (0.45) TGFBR1KDM4ELMNACCR1CCR5
SCHEMBL32689469 0.93 TGFBR1 (0.45) TGFBR1KDM4ELMNACCR1CCR5
Hydrochloric Acid SCHEMBL2455950 0.93 TGFBR1 (0.45) TGFBR1KDM4ELMNACCR1CCR5
Dipyridyl SCHEMBL7511159 0.93 KDM4E (0.48) TGFBR1KDM4ELMNACCR1CCR5
Dipyridyl SCHEMBL4595525 0.93 KDM4E (0.48) TGFBR1KDM4ELMNACCR1CCR5
SCHEMBL2455952 0.89 TGFBR1 (0.42) TGFBR1KDM4ELMNACCR1CCR5
SCHEMBL230110 0.88 KDM4E (0.54) TGFBR1KDM4ELMNACCR1CCR5
SCHEMBL17045822 0.86 KDM4E (0.52) TGFBR1KDM4ELMNACCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11952321-B2 Method for the hydrodeoxygenation of oxygenated compounds to unsaturated products TOTALENERGIES ONETECH BELGIUM S.A. (BE) 2024-04-09 US disclosed
CN-114933711-B Preparation of organic supermolecular ball and application of organic supermolecular ball in iodine adsorption 黔南民族师范学院 2023-09-15 CN disclosed
US-20220356126-A1 METHOD FOR THE HYDRODEOXYGENATION OF OXYGENATED COMPOUNDS TO UNSATURATED PRODUCTS TOTALENERGIES ONETECH BELGIUM S.A. (BE) 2022-11-10 US disclosed
CN-114933711-A Preparation of organic supermolecule ball and application thereof in iodine adsorption 黔南民族师范学院 2022-08-23 CN disclosed
CN-114773614-A Bimetal controllable distribution supramolecular material and preparation method thereof 吉林大学 2022-07-22 CN disclosed
EP-3990418-A1 METHOD FOR THE HYDRODEOXYGENATION OF OXYGENATED COMPOUNDS TO UNSATURATED PRODUCTS Katholieke Universiteit Leuven (BE) 2022-05-04 EP disclosed
US-8309304-B2 composition for detecting and/or characterizing a multiple-charged biomolecule comprising a charged d8 or d10 metal complex, wherein the metal complex electrostatically binds to the multiple-charged biomolecule to induce aggregation and self-assembly of the metal complex through metal-metal interactions, THE UNIVERSITY OF HONG KONG (CN) 2012-11-13 US disclosed
US-20110006272-A1 Electrochromic films prepared by supramolecular self-assembly BASF SE (DE) 2011-01-13 US disclosed
JP-2010209047-A PHENYL-TERPYRIDINE COMPOUND, COMPLEX COMPOUND OR COMPOUNDED MATERIAL, METHOD FOR PRODUCING THEM, LIGHT-EMITTING MATERIAL CONTAINING THEM AND DETECTING MATERIAL OF ORGANIC COMPOUND TOKYO INSTITUTE OF TECHNOLOGY 2010-09-24 JP disclosed
WO-2010069797-A1 ELECTROCHROMIC FILMS PREPARED BY SUPRAMOLECULAR SELF-ASSEMBLY BASF SE (DE) 2010-06-24 WO disclosed
US-20080153103-A1 Label-Free Optical Sensing and Characterization of Biomolecules by D8 or D10 Metal Complexes UNIVERSITY OF HONG KONG, THE (HK) 2008-06-26 US disclosed
US-20050064468-A1 concentration, removing or separation of nucleotide bases or nucleotide sequences containing bases from solid supports IBC ADVANCED TECHNOLOGIES, INC. 2005-03-24 US disclosed
US-6774082-B2 COMPOSITION FOR USE IN THE SEPARATION OF PREFERENTIAL BIOPOLYMERS FROM SAMPLE IBC ADVANCED TECHNOLOGIES, INC. 2004-08-10 US disclosed
US-20030050458-A1 Compositions and methods for separating heterocyclic aromatic amine bases, nucleosides, nucleotides, and nucleotide sequences IBC ADVANCED TECHNOLOGIES, INC. 2003-03-13 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 (2 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-20030050458-A1 Compositions and methods for separating heterocyclic aromatic amine bases, nucleosides, nucleotides, and nucleotide sequences NUDT1, ATIC, PNP TGFBR1 1531/4885KDM4E 2013/4885LMNA 1739/4885
US-20050064468-A1 concentration, removing or separation of nucleotide bases or nucleotide sequences containing bases from solid supports NUDT1, PCNA, NSUN2 TGFBR1 1666/4885KDM4E 2348/4885LMNA 2372/4885

“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.