SCHEMBL26860189

SCHEMBL26860189

CC(C)(C)Cc1ccc2nc3ncccc3cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.39
KCNH2 Q12809 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ATM Q13315 2/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHKA P35790 2/20 0.35
PSMB5 P28074 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 1/20 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
SCHEMBL9969439 0.83 ALDH1A1 (0.53) METKCNH2HRH3ALDH1A1SMN1; SMN2
SCHEMBL26860191 0.81 ATM (0.36) METALDH1A1SMN1; SMN2KDM4EATM
SCHEMBL22951475 0.80 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KDM4EMAPTHTT
SCHEMBL19386400 0.78 ATM (0.38) METKCNH2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL18721319 0.76 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KDM4EATMTP53
SCHEMBL20272946 0.73 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EATMTP53
SCHEMBL19170649 0.73 ESR1 (0.39) PSMB5PDE10ACYP1A2
SCHEMBL162529 0.71 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KDM4EATMTP53
SCHEMBL22951223 0.70 HTR3A (0.53) KCNH2HRH3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL19386431 0.70 ESR1 (0.37) PSMB5

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-20230372309-A1 ALPHA-2 ADRENERGIC RECEPTOR ANTAGONIST KYOTO UNIVERSITY (JP) 2023-11-23 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-20230372309-A1 ALPHA-2 ADRENERGIC RECEPTOR ANTAGONIST ADRA2A, ADRB2, ADRA2B MET 3616/4885KCNH2 869/4885HRH3 339/4885

“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.