SCHEMBL20788520

SCHEMBL20788520

COCOc1ccc(-c2ccc([N+](=O)[O-])c(-c3ccccc3C(N)=O)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 4/20 0.46
▸ EIF4E P06730 2/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ AKR1B10 O60218 1/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ AKR1C4 P17516 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ HRH2 P25021 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ FGFR1 P11362 1/20 0.37
▸ SRC P12931 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
SCHEMBL20788515 0.83 FYN (0.53) FYNPARP1CHEK2NPC1RAB9A
SCHEMBL20788527 0.75 MAPT (0.57) FYNKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL20788518 0.72 ABCB1 (0.61) KMT2ASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL29950282 0.72 LMNA (0.54) EIF4ECDC7LMNAMAPTHTT
SCHEMBL995083 0.72 LMNA (0.54) EIF4ECDC7LMNAMAPTHTT
SCHEMBL27647715 0.71 BCAT2 (0.53) EIF4ECDC7KMT2ALMNAMAPT
SCHEMBL4268078 0.71 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL25295556 0.70 ALDH1A1 (0.52) FYNCDC7CHEK2KMT2ASMN1; SMN2
SCHEMBL28081760 0.69 ALDH1A1 (0.47) AKR1B10AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL26343197 0.69 DTYMK (0.50) AKR1B10AKR1B1AKR1C4AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190076552-A1 Precursor of a histone deacetylase inhibitor PET imaging compound for tracking cerebral neurodegenerative and tumor diseases INSTITUTE OF NUCLEAR ENERGY RESEARCH, NUCLEAR ENERGY COUNCIL, EXECUTIVE YUAN (TW) 2019-03-14 — — US claimed
US-10507250-B2 Precursor of a histone deacetylase inhibitor PET imaging compound for tracking cerebral neurodegenerative and tumor diseases INSTITUTE OF NUCLEAR ENERGY RESEARCH, ATOMIC ENERGY COUNCIL, EXECUTIVE YUAN (TW) 2019-12-17 — — US disclosed
US-20190076552-A1 Precursor of a histone deacetylase inhibitor PET imaging compound for tracking cerebral neurodegenerative and tumor diseases INSTITUTE OF NUCLEAR ENERGY RESEARCH, NUCLEAR ENERGY COUNCIL, EXECUTIVE YUAN (TW) 2019-03-14 — — 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-10507250-B2 Precursor of a histone deacetylase inhibitor PET imaging compound for tracking cerebral neurodegenerative and tumor diseases H1-3, H1-2, HDAC2 FYN 3784/4885EIF4E 4465/4885CDC7 2175/4885
US-20190076552-A1 Precursor of a histone deacetylase inhibitor PET imaging compound for tracking cerebral neurodegenerative and tumor diseases H1-3, H1-2, HDAC2 FYN 3784/4885EIF4E 4465/4885CDC7 2175/4885

“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.

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