SCHEMBL3661878

SCHEMBL3661878

O=Cc1nc2ccccc2cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 2/20 0.53
GAA P10253 2/20 0.53
STAT3 P40763 1/20 0.53
GLA P06280 2/20 0.46
MAPT P10636 2/20 0.46
ACHE P22303 1/20 0.46
ERN1 O75460 3/20 0.40
IKBKB O14920 1/20 0.40
HTR2B P41595 1/20 0.38
ECE2 P0DPD6 2/20 0.38
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MGAM O43451 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL29956188 1.00 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDGAASTAT3
Formamide SCHEMBL9731457 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGAASTAT3
SCHEMBL2894808 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDGAASTAT3
SCHEMBL9731454 0.79 EGFR (0.45) ALDH1A1KDM4EHPGDGAASTAT3
SCHEMBL7891555 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDGAASTAT3
SCHEMBL2015910 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDGAASTAT3
SCHEMBL29956438 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL14911960 0.77 TDP1 (0.53) ALDH1A1KDM4EHPGDGAASTAT3
SCHEMBL6965074 0.77 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL28289877 0.77 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGAASTAT3

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106163509-A Beta-substituted beta-amino acids and analogs as chemotherapeutic agents 夸德里加生物科学公司 2016-11-23 CN claimed
CN-106132406-A β substituted γ aminoacid and analog as chemotherapeutics 夸德里加生物科学公司 2016-11-16 CN claimed
CN-117964645-A Synthesis method and application of 8-hydroxyquinoline aldehyde N-O pyridine bisacylhydrazone tetranuclear dysprosium cluster compound 广西医科大学 2024-05-03 CN disclosed
CN-116589403-A 3-hydroxyquinoline-2-ketone compound and synthetic method and application thereof 浙江工业大学 2023-08-15 CN disclosed
CN-116589403-A 3-hydroxyquinoline-2-ketone compound and synthetic method and application thereof 浙江工业大学 2023-08-15 CN disclosed
CN-116589403-A 3-hydroxyquinoline-2-ketone compound and synthetic method and application thereof 浙江工业大学 2023-08-15 CN disclosed
CN-111689944-B Quinoline tryptamine heterozygote and application thereof in preparation of medicine for treating Alzheimer disease 中山大学 2021-11-16 CN disclosed
CN-111689944-A Quinoline tryptamine heterozygote and application thereof in preparation of medicine for treating Alzheimer disease 中山大学 2020-09-22 CN disclosed
EP-3044284-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-11-13 EP disclosed
CN-106163509-B β -substituted β -amino acids and analogs as chemotherapeutic agents 夸德里加生物科学公司 2019-05-03 CN disclosed
CN-108026026-A Beta-amino acids and analog and its application as the β-substituted of chemotherapeutics 夸德里加生物科学公司 2018-05-11 CN disclosed
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2009-12-17 US disclosed
US-7560558-B2 Compound having TGFβ inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2009-07-14 US disclosed
WO-2009075824-A1 METHODS FOR INCREASING ENDOTHELIAL PROGENTIOR CELLS FIBROGEN, INC. (US) 2009-06-18 WO disclosed
WO-2008124323-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-10-16 WO disclosed
US-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-05-25 US disclosed
CN-1688549-A Compound having TGF-beta inhibitory activity and medicinal composition containing the same KIRIN BREWERY (JP) 2005-10-26 CN disclosed
EP-1548008-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND MEDICINAL COMPOSITION CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2005-06-29 EP disclosed
US-5421897-A Applying liquid composition to surface contaminated with lead, solidifying into matrix which sequesters lead, removing matrix GRAWE JOHN (US) 1995-06-06 US disclosed
US-4002564-A Cation-exchange resins having cross-linked vinyl aromatic polymer matrix with attached amino alkylene phosphonic acid groups, their use, and preparation DIAMOND SHAMROCK CORPORATION (US) 1977-01-11 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-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same TGFB1, TGFBR1, TGFBR2 ALDH1A1 1257/4885KDM4E 1176/4885HPGD 1553/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 ALDH1A1 1845/4885KDM4E 1066/4885HPGD 1778/4885

“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.