SCHEMBL16892189

SCHEMBL16892189

COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](C)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 1.00
HSD17B10 Q99714 2/20 1.00
TSHR P16473 2/20 1.00
HTT P42858 1/20 1.00
ALDH1A1 P00352 4/20 0.74
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
CCKBR P32239 2/20 0.69
PDE5A O76074 5/20 0.68
CYP2D6 P10635 3/20 0.62
MAPT P10636 2/20 0.62
HPGD P15428 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP1A2 P05177 1/20 0.62
GAA P10253 1/20 0.62
CYP2C9 P11712 1/20 0.62
ALOX15 P16050 1/20 0.62
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL17520531 1.00 KDM4E (1.00) KDM4EHSD17B10TSHRHTTALDH1A1
SCHEMBL25282368 1.00 KDM4E (1.00) KDM4EHSD17B10TSHRHTTALDH1A1
SCHEMBL16491970 1.00 KDM4E (1.00) KDM4EHSD17B10TSHRHTTALDH1A1
SCHEMBL9476492 1.00 KDM4E (1.00) KDM4EHSD17B10TSHRHTTALDH1A1
SCHEMBL18212308 0.90 KDM4E (0.82) KDM4EHSD17B10TSHRHTTALDH1A1
SCHEMBL28698432 0.89 KDM4E (0.80) KDM4EHSD17B10TSHRHTTALDH1A1
SCHEMBL29817675 0.87 KDM4E (0.77) KDM4EHSD17B10TSHRHTTALDH1A1
SCHEMBL29817676 0.87 KDM4E (0.77) KDM4EHSD17B10TSHRHTTALDH1A1
SCHEMBL2216780 0.86 KDM4E (0.98) KDM4EHSD17B10TSHRHTTALDH1A1
SCHEMBL16892184 0.86 KDM4E (0.98) KDM4EHSD17B10TSHRHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177621-B1 NOVEL HDAC6 INHIBITORS AND THEIR USES UNIV REGENSBURG (DE) 2021-11-10 EP disclosed
CN-108969770-B Dipeptide modified 1-methyl-3-hydroxymethyl-tetrahydro-beta-carboline, synthesis and application thereof 首都医科大学 2021-07-27 CN disclosed
US-10208033-B2 β-carboline, dihydro-β-carboline and tetrahydro-β-carboline alkaloid derivatives and preparation methods same and use in aspects of preventing and treating plant viruses, fungicides and insecticides NANKAI UNIVERSITY (CN) 2019-02-19 US disclosed
US-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES Universitätsklinikum Jena (DE) 2017-07-27 US disclosed
US-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES Universitätsklinikum Jena (DE) 2017-07-27 US disclosed
US-20160326166-A1 ß-CARBOLINE, DIHYDRO-ß-CARBOLINE AND TETRAHYDRO-ß-CARBOLINE ALKALOID DERIVATIVES AND PREPARATION METHODS SAME AND USE IN ASPECTS OF PREVENTING AND TREATING PLANT VIRUSES, FUNGICIDES AND INSECTICIDES NANKAI UNIVERSITY (CN) 2016-11-10 US disclosed
US-20160326166-A1 ß-CARBOLINE, DIHYDRO-ß-CARBOLINE AND TETRAHYDRO-ß-CARBOLINE ALKALOID DERIVATIVES AND PREPARATION METHODS SAME AND USE IN ASPECTS OF PREVENTING AND TREATING PLANT VIRUSES, FUNGICIDES AND INSECTICIDES NANKAI UNIVERSITY (CN) 2016-11-10 US disclosed
WO-2015101206-A1 Β-CARBOLINE, DIHYDRO-Β-CARBOLINE AND TETRAHYDRO-Β-CARBOLINE ALKALOID DERIVATIVES AND METHOD FOR PREPARING SAME AND USE IN ASPECTS OF PREVENTING AND TREATING PLANT VIRUSES, FUNGICIDES AND INSECTICIDES 南开大学 2015-07-09 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 (3 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-20160326166-A1 ß-CARBOLINE, DIHYDRO-ß-CARBOLINE AND TETRAHYDRO-ß-CARBOLINE ALKALOID DERIVATIVES AND PREPARATION METHODS SAME AND USE IN ASPECTS OF PREVENTING AND TREATING PLANT VIRUSES, FUNGICIDES AND INSECTICIDES DDT, NOTUM, DDAH1 KDM4E 1695/4885HSD17B10 769/4885TSHR 3772/4885
US-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES HDAC6, HDAC5, HDAC4 KDM4E 676/4885HSD17B10 456/4885TSHR 3508/4885
US-10208033-B2 β-carboline, dihydro-β-carboline and tetrahydro-β-carboline alkaloid derivatives and preparation methods same and use in aspects of preventing and treating plant viruses, fungicides and insecticides DDT, ZC3HAV1, NOTUM KDM4E 1731/4885HSD17B10 775/4885TSHR 3653/4885

“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.