SCHEMBL22401705

SCHEMBL22401705

[CH2]Cc1nc2cc(OC)c(OC)cc2n(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.36
S100B P04271 1/20 0.36
HDAC6 Q9UBN7 3/20 0.36
FGFR1 P11362 1/20 0.35
SRC P12931 1/20 0.35
NQO2 P16083 1/20 0.34
PGK1 P00558 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
RAB9A P51151 1/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TNF P01375 2/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL29600727 0.85 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4EGLAHPGD
SCHEMBL571871 0.85 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4EGLAHPGD
SCHEMBL30690930 0.80 HDAC6 (0.37) ALDH1A1SMN1; SMN2KDM4EGLAHPGD
SCHEMBL21523292 0.79 HDAC6 (0.39) ALDH1A1SMN1; SMN2KDM4EGLAHPGD
SCHEMBL29751992 0.76 HDAC6 (0.44) ALDH1A1KDM4EMAPTMAPK1HDAC6
SCHEMBL10808625 0.75 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EGLAHPGD
SCHEMBL10808616 0.75 KDM4E (0.41) ALDH1A1SMN1; SMN2KDM4EGLAHPGD
SCHEMBL10479158 0.73 MAPT (0.52) ALDH1A1SMN1; SMN2KDM4EGLAHPGD
SCHEMBL2210085 0.72 MAPT (0.51) ALDH1A1SMN1; SMN2KDM4EGLAHPGD
SCHEMBL29600466 0.72 MAPT (0.51) ALDH1A1SMN1; SMN2KDM4EGLAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192854-B2 Method for producing semicarbazide compound TOKUYAMA CORPORATION (JP) 2021-12-07 US claimed
US-11946910-B2 Triazolinedione adduct, method for producing triazolinedione adduct, method for producing ene compound, and method for analyzing ene compound TOKUYAMA CORPORATION (JP) 2024-04-02 US disclosed
US-11192854-B2 Method for producing semicarbazide compound TOKUYAMA CORPORATION (JP) 2021-12-07 US disclosed
US-20210253587-A1 TRIAZOLINEDIONE ADDUCT, METHOD FOR PRODUCING TRIAZOLINEDIONE ADDUCT, METHOD FOR PRODUCING ENE COMPOUND, AND METHOD FOR ANALYZING ENE COMPOUND TOKUYAMA CORPORATION (JP) 2021-08-19 US disclosed
EP-3808750-A1 TRIAZOLINEDIONE ADDUCT, METHOD FOR PRODUCING TRIAZOLINEDIONE ADDUCT, METHOD FOR PRODUCING ENE COMPOUND, AND METHOD FOR ANALYZING ENE COMPOUND Tokuyama Corporation (JP) 2021-04-21 EP disclosed
US-20210002212-A1 METHOD FOR PRODUCING SEMICARBAZIDE COMPOUND TOKUYAMA CORPORATION (JP) 2021-01-07 US disclosed
EP-3708562-A1 METHOD FOR PRODUCING SEMICARBAZIDE COMPOUND Tokuyama Corporation (JP) 2020-09-16 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 (4 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-11946910-B2 Triazolinedione adduct, method for producing triazolinedione adduct, method for producing ene compound, and method for analyzing ene compound NR2E1, AR, NR5A2 ALDH1A1 219/4885SMN1; SMN2 4452/4885KDM4E 1814/4885
US-11192854-B2 Method for producing semicarbazide compound SALL4, SHH, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 900/4885SMN1; SMN2 2747/4885KDM4E 2515/4885
US-20210253587-A1 TRIAZOLINEDIONE ADDUCT, METHOD FOR PRODUCING TRIAZOLINEDIONE ADDUCT, METHOD FOR PRODUCING ENE COMPOUND, AND METHOD FOR ANALYZING ENE COMPOUND NR2E1, AR, NR5A2 ALDH1A1 219/4885SMN1; SMN2 4452/4885KDM4E 1814/4885
US-20210002212-A1 METHOD FOR PRODUCING SEMICARBAZIDE COMPOUND SALL4, SHH, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 900/4885SMN1; SMN2 2747/4885KDM4E 2515/4885

“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.