SCHEMBL459318

SCHEMBL459318

COc1cnccc1C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GLA P06280 1/20 0.47
LMNA P02545 3/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
POLB P06746 1/20 0.42
JAK2 O60674 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 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
Bromide SCHEMBL27690676 0.98 KDM4E (0.46) KDM4EGAAALDH1A1GLALMNA
SCHEMBL334854 0.85 CA12 (0.47) KDM4EGAAALDH1A1GLALMNA
SCHEMBL115719 0.85 KDM4C (0.53) KDM4EGAAALDH1A1GLAHTT
SCHEMBL30578227 0.85 KDM4C (0.53) KDM4EGAAALDH1A1GLAHTT
SCHEMBL22731931 0.84 GPBAR1 (0.43) KDM4EGAAALDH1A1GLALMNA
Hydrochloric Acid SCHEMBL459608 0.83 KDM4C (0.52) KDM4EGAAALDH1A1GLAHTT
SCHEMBL607011 0.83 MKNK1 (0.57) KDM4EGAAALDH1A1GLAHTT
SCHEMBL1554575 0.83 KDM4E (0.64) KDM4EGAAALDH1A1GLALMNA
SCHEMBL22731923 0.82 IKBKB (0.45) KDM4EGAAALDH1A1GLALMNA
SCHEMBL1797967 0.81 KDM4E (0.41) KDM4EGAAALDH1A1GLALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-85105898-A With the manufacture method that is 2-benzyl-4-(4-pyridine radicals) thiazoles He its derivative of immunomodulator 1987-01-21 CN claimed
US-20230234945-A1 AZABICYCLYL-SUBSTITUTED HETEROCYCLES AS FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-07-27 US disclosed
WO-2015187934-A1 FUNCTIONALIZED HETROARYL ENONES EXHIBITING NRF2 ACTIVATION AND THEIR METHOD OF USE CUREVEDA, LLC (US) 2015-12-10 WO disclosed
WO-2015187934-A1 FUNCTIONALIZED HETROARYL ENONES EXHIBITING NRF2 ACTIVATION AND THEIR METHOD OF USE CUREVEDA, LLC (US) 2015-12-10 WO disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed
US-4725606-A AUTOIMMUNE DISEASES MERCK & CO., INC. (US) 1988-02-16 US disclosed
US-4697012-A IMMUNOLOGY, ANTIINFLAMMATORY AGENTS MERCK & CO., INC. (US) 1987-09-29 US disclosed
CN-85105898-A With the manufacture method that is 2-benzyl-4-(4-pyridine radicals) thiazoles He its derivative of immunomodulator 1987-01-21 CN disclosed
EP-0169502-A2 2-Benzyl-4-(2-morpholino)-4-Pyriol) Thiazole MERCK & CO. INC. (US) 1986-01-29 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-20230234945-A1 AZABICYCLYL-SUBSTITUTED HETEROCYCLES AS FUNGICIDES CYP1B1, DDT, CYP1A1 KDM4E 542/4885GAA 805/4885ALDH1A1 970/4885

“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.