SCHEMBL515578

SCHEMBL515578

c1ccc2c(c1)ccc1cnnn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
ALDH1A1 P00352 2/20 0.34
BRD4 O60885 1/20 0.34
BRPF1 P55201 1/20 0.34
KAT2B Q92831 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PBRM1 Q86U86 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CDK4 P11802 3/20 0.32
CCND1 P24385 3/20 0.32
MAPK9 P45984 2/20 0.32
MAPK10 P53779 2/20 0.32
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL20104372 0.74 CYP2A6 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL20104369 0.71 ESR1 (0.33) MAPK9MAPK10
SCHEMBL8647146 0.71 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6068564 0.71 ADORA3 (0.33) L3MBTL1SMN1; SMN2PBRM1MEN1KMT2A
SCHEMBL1368461 0.69 CA12 (0.35) CA12CA9ALDH1A1BRD4BRPF1
SCHEMBL29769926 0.69 CA12 (0.35) CA12CA9ALDH1A1BRD4BRPF1
SCHEMBL18751059 0.67 CA12 (0.37) CA12CA9ALDH1A1BRD4BRPF1
SCHEMBL18750707 0.65 NPC1 (0.40) CA12CA9ALDH1A1BRD4BRPF1
SCHEMBL9136994 0.64 NPC1 (0.46) ALDH1A1MAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL1368459 0.64 KMT2A (0.46) CA12CA9ALDH1A1BRD4BRPF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110105355-B Preparation method of 1,2, 3-triazole- [1,5-a ] quinoline compound 烟台大学 2021-09-21 CN claimed
US-9034486-B2 Triazole derivative, heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD (JP) 2015-05-19 US claimed
WO-2012017842-A1 TRIAZOLE DERIVATIVE, HETEROCYCLIC COMPOUND, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-02-09 WO claimed
US-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-02-02 US claimed
EP-0745154-B1 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND METHOD OF USING THIS SYSTEM LIGNOZYM GMBH (DE) 1998-09-16 EP claimed
US-20250002487-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. (US) 2025-01-02 US disclosed
CN-110105355-B Preparation method of 1,2, 3-triazole- [1,5-a ] quinoline compound 烟台大学 2021-09-21 CN disclosed
CN-110105355-B Preparation method of 1,2, 3-triazole- [1,5-a ] quinoline compound 烟台大学 2021-09-21 CN disclosed
CN-110105355-B Preparation method of 1,2, 3-triazole- [1,5-a ] quinoline compound 烟台大学 2021-09-21 CN disclosed
EP-3153498-B1 N-SUBSTITUTED PHENYL GLYCINE PREPARATION METHOD ABA CHEMICALS CORP (CN) 2019-08-21 EP disclosed
CN-110105355-A A kind of preparation method of 1,2,3- triazole-[1,5-a] and quinolines 烟台大学 2019-08-09 CN disclosed
US-10280134-B1 Potent cytotoxic agent against human hepatocellular carcinoma cell line based on 2-aryl hydrazonopropanal pharmacophore KING ABDULAZIZ UNIVERSITY (SA) 2019-05-07 US disclosed
US-20110284799-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
US-20110112106-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2011-05-12 US disclosed
US-7919621-B2 Tricyclic inhibitors of 5-lipoxygenase AMIRA PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
US-20100204278-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
WO-2010086089-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2010-08-05 WO disclosed
US-20070173508-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
WO-2002081474-A1 TRIAZOLOPHTHALAZINE / QUINOLINE / ISOQUINOLINE DERIVATIVES WHICH ARE LIGANDS FOR GABA-A RECEPTORS CONTAINING THE ALPHA 5 SUBTYPE MERCK SHARP & DOHME LIMITED (GB) 2002-10-17 WO disclosed
WO-2002081474-A1 TRIAZOLOPHTHALAZINE / QUINOLINE / ISOQUINOLINE DERIVATIVES WHICH ARE LIGANDS FOR GABA-A RECEPTORS CONTAINING THE ALPHA 5 SUBTYPE MERCK SHARP & DOHME LIMITED (GB) 2002-10-17 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 (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-20070173508-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE ALOX5, ALOX15, ALOX15B CA12 4856/4885CA9 4094/4885ALDH1A1 802/4885
US-20110112106-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE ALOX5, ALOX15, ALOX15B CA12 4856/4885CA9 4094/4885ALDH1A1 802/4885
US-20250002487-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CGAS, TDP1, CYP11B2 CA12 390/4885CA9 538/4885ALDH1A1 987/4885
US-20110284799-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 CA12 1141/4885CA9 1868/4885ALDH1A1 3721/4885
US-10280134-B1 Potent cytotoxic agent against human hepatocellular carcinoma cell line based on 2-aryl hydrazonopropanal pharmacophore HCCS, HDGF, HAVCR2 CA12 1139/4885CA9 1724/4885ALDH1A1 42/4885
US-20100204278-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 CA12 4003/4885CA9 3501/4885ALDH1A1 1181/4885
US-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device HTR3D, KCNQ4, KCNQ3 CA12 4799/4885CA9 4550/4885ALDH1A1 1032/4885

“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.