SCHEMBL22304451

SCHEMBL22304451

Cc1cc2ocnc2cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.45
DYRK1A Q13627 2/20 0.42
APAF1 O14727 1/20 0.42
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
UHRF1 Q96T88 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
NPC1 O15118 5/20 0.36
ALDH1A1 P00352 5/20 0.36
RAB9A P51151 4/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MCL1 Q07820 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34

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
SCHEMBL22304002 0.92 DYRK1A (0.42) TERTDYRK1AAPAF1CYP3A4TSHR
SCHEMBL29888711 0.83 CHRNB2 (0.42) DYRK1ACHRNB2CHRNA4NPC1ALDH1A1
SCHEMBL927293 0.83 CHRNB2 (0.42) DYRK1ACHRNB2CHRNA4NPC1ALDH1A1
SCHEMBL30711473 0.80 CHRNB2 (0.38) DYRK1ATSHRCHRNB2CHRNA4NPC1
SCHEMBL12121725 0.76 CHRNB2 (0.38) DYRK1ACHRNB2CHRNA4NPC1ALDH1A1
SCHEMBL5084517 0.76 CHRNB2 (0.38) DYRK1ACHRNB2CHRNA4NPC1ALDH1A1
SCHEMBL30394548 0.76 DYRK1A (0.42) DYRK1ACHRNB2CHRNA4NPC1ALDH1A1
SCHEMBL1701025 0.76 CHRNB2 (0.38) DYRK1ATSHRCHRNB2CHRNA4NPC1
SCHEMBL941915 0.75 CHRNB2 (0.48) DYRK1ACHRNB2CHRNA4NPC1ALDH1A1
SCHEMBL12228885 0.74 DYRK1A (0.38) DYRK1ACHRNB2CHRNA4NPC1ALDH1A1

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-20200246345-A1 ALDEHYDE CONJUGATES AND USES THEREOF ALDEYRA THERAPEUTICS, INC. 2020-08-06 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 (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-20200246345-A1 ALDEHYDE CONJUGATES AND USES THEREOF ALDH1A2, AOX1, ALDH2 TERT 4020/4885DYRK1A 4123/4885APAF1 389/4885

“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.