SCHEMBL504399

SCHEMBL504399

CC1NC(C(=O)O)Cc2c1[nH]c1ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.74
TSHR P16473 2/20 0.74
HSD17B10 Q99714 2/20 0.74
HTT P42858 1/20 0.74
CYP2D6 P10635 3/20 0.71
MAPK1 P28482 1/20 0.71
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
ALDH1A1 P00352 4/20 0.70
MAPT P10636 1/20 0.70
HPGD P15428 1/20 0.70
CYP2C19 P33261 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ALOX12 P18054 1/20 0.60
ALOX15 P16050 1/20 0.57
CCKBR P32239 1/20 0.51

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
SCHEMBL1934409 1.00 KDM4E (0.74) KDM4ETSHRHSD17B10HTTCYP2D6
SCHEMBL28642718 1.00 KDM4E (0.74) KDM4ETSHRHSD17B10HTTCYP2D6
SCHEMBL28662843 1.00 KDM4E (0.74) KDM4ETSHRHSD17B10HTTCYP2D6
SCHEMBL29379056 1.00 KDM4E (0.74) KDM4ETSHRHSD17B10HTTCYP2D6
SCHEMBL31310810 1.00 KDM4E (0.74) KDM4ETSHRHSD17B10HTTCYP2D6
SCHEMBL5680135 1.00 KDM4E (0.74) KDM4ETSHRHSD17B10HTTCYP2D6
SCHEMBL18207946 1.00 KDM4E (0.74) KDM4ETSHRHSD17B10HTTCYP2D6
SCHEMBL10843678 1.00 KDM4E (0.74) KDM4ETSHRHSD17B10HTTCYP2D6
SCHEMBL1934152 1.00 KDM4E (0.74) KDM4ETSHRHSD17B10HTTCYP2D6
SCHEMBL4762341 1.00 KDM4E (0.74) KDM4ETSHRHSD17B10HTTCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117936807-A Preparation method and application of alkaline fuel cell catalyst layer containing high water-retaining property and high ion conductivity additive 中国科学院山西煤炭化学研究所 2024-04-26 CN claimed
CN-117204433-B Application and preparation method of compound 1-methyl-1, 2,3, 4-tetrahydro-beta-carboline-3-carboxylic acid 山东蓬勃生物科技有限公司 2024-04-02 CN claimed
US-20240082274-A1 FUNGAL COMPOUND COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATION TURTLE BEAR HOLDINGS, LLC 2024-03-14 US claimed
EP-4333838-A1 FUNGAL COMPOUND COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATION Turtle Bear Holdings, LLC (US) 2024-03-13 EP claimed
CN-117204433-A Application and preparation method of compound 1-methyl-1, 2,3, 4-tetrahydro-beta-carboline-3-carboxylic acid 山东蓬勃生物科技有限公司 2023-12-12 CN claimed
CN-112168846-A Lactobacillus plantarum TCI378 strain and application of metabolite thereof in fat reduction 大江生医股份有限公司 2021-01-05 CN claimed
EP-3188721-B1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LTD (IE) 2019-06-12 EP claimed
CN-109134606-A 1,1- dihydroxymethyl-tetrahydro-beta-carboline -3- formyl-GRGDV, synthesis, activity and application 首都医科大学 2019-01-04 CN claimed
CN-109134607-A 1,1- dihydroxymethyl-tetrahydro-beta-carboline -3- formyl-GRGDS, synthesis, activity and application 首都医科大学 2019-01-04 CN claimed
CN-109134603-A 1,1- dihydroxymethyl-tetrahydro-beta-carboline -3- formyl-GYIGSR, synthesis, activity and application 首都医科大学 2019-01-04 CN claimed
CN-109134604-A 1,1- dihydroxymethyl-tetrahydro-beta-carboline -3- formyl-GRGDF, synthesis, activity and application 首都医科大学 2019-01-04 CN claimed
CN-109134605-A 1,1- dihydroxymethyl-tetrahydro-beta-carboline -3- formyl-GYIGSK, synthesis, activity and application 首都医科大学 2019-01-04 CN claimed
CN-109111502-A 1,1- dihydroxymethyl-tetrahydro-beta-carboline -3- formyl-GGPRP, synthesis, activity and application 首都医科大学 2019-01-01 CN claimed
CN-108976283-A 1,1- dihydroxymethyl-tetrahydro-beta-carboline -3- formyl-GLDV, synthesis, activity and application 首都医科大学 2018-12-11 CN claimed
CN-104419326-A Slurry composition for chemical mechanical polishing COWON INNOTECH INC 2015-03-18 CN claimed
WO-2008077194-A1 RECEPTOR AGONISTS XENOME LTD (AU) 2008-07-03 WO claimed
CN-117936807-A Preparation method and application of alkaline fuel cell catalyst layer containing high water-retaining property and high ion conductivity additive 中国科学院山西煤炭化学研究所 2024-04-26 CN disclosed
CN-117204433-B Application and preparation method of compound 1-methyl-1, 2,3, 4-tetrahydro-beta-carboline-3-carboxylic acid 山东蓬勃生物科技有限公司 2024-04-02 CN disclosed
WO-2004113336-A1 CARBOLINE AND BETACARBOLINE DERIVATIVES FOR USE AS HDAC ENZYME INHIBITORS CHROMA THERAPEUTICS LIMITED (GB) 2004-12-29 WO disclosed
EP-0129031-A2 Antimutagenic agent SUNTORY LIMITED (JP) 1984-12-27 EP 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 (1 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-20240082274-A1 FUNGAL COMPOUND COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATION MAOB, TPSG1, TPSB2 KDM4E 1553/4885TSHR 4523/4885HSD17B10 1167/4885

“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.