SCHEMBL31298219

SCHEMBL31298219

NC(=O)c1ccc2c(c1)ncn2Cc1ccc(B(O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ FGFR1 P11362 1/20 0.47
▸ NAMPT P43490 1/20 0.46
▸ PPARG P37231 3/20 0.45
▸ CYP11B1 P15538 4/20 0.43
▸ CYP11B2 P19099 4/20 0.43
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TNF P01375 1/20 0.43
▸ F10 P00742 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL26255001 1.00 HDAC1 (0.50) HDAC1HDAC6FGFR1NAMPTPPARG
Trifluoroacetic Acid SCHEMBL22533966 0.92 HDAC1 (0.44) HDAC1HDAC6FGFR1NAMPTPPARG
SCHEMBL27442447 0.91 HDAC1 (0.48) HDAC1HDAC6FGFR1NAMPTPPARG
SCHEMBL27441300 0.90 HDAC1 (0.50) HDAC1HDAC6CYP11B1CYP11B2HTT
SCHEMBL22533960 0.89 MEN1 (0.49) HDAC1HDAC6FGFR1PPARGLMNA
SCHEMBL22533916 0.85 PPARG (0.52) HDAC1HDAC6PPARGIDO1
SCHEMBL22533917 0.85 BRD4 (0.52) HDAC1HDAC6FGFR1PPARGCYP11B2
SCHEMBL22533968 0.84 HDAC1 (0.43) HDAC1HDAC6FGFR1NAMPTPPARG
Trifluoroacetic Acid SCHEMBL22533911 0.83 HDAC1 (0.44) HDAC1HDAC6CYP11B1CYP11B2TNF
Trifluoroacetic Acid SCHEMBL29424806 0.83 HDAC1 (0.44) HDAC1HDAC6CYP11B1CYP11B2TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250041319-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2025-02-06 — — US claimed

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-20250041319-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, SMPD1 HDAC1 661/4885HDAC6 982/4885FGFR1 2738/4885

“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.

Send feedback