SCHEMBL23528205

SCHEMBL23528205

COc1cccc(Cc2ccc[nH]2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ CHRM3 P20309 1/20 0.50
▸ HTR1B P28222 1/20 0.49
▸ TAAR1 Q96RJ0 3/20 0.49
▸ IDO1 P14902 2/20 0.49
▸ AGXT P21549 2/20 0.49
▸ DAO P14920 1/20 0.48
▸ FGFR1 P11362 1/20 0.47
▸ FGFR4 P22455 1/20 0.47
▸ CMA1 P23946 1/20 0.45
▸ KDM4C Q9H3R0 1/20 0.44
▸ KDM5B Q9UGL1 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ AOC3 Q16853 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ DHFR P00374 1/20 0.43

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
SCHEMBL11377807 0.81 LTA4H (0.55) TAAR1IDO1AGXT
SCHEMBL2099512 0.80 CHRM2 (0.66) CHRM2CHRM1CHRM3HTR1BTAAR1
SCHEMBL28173296 0.77 DAO (0.53) TAAR1IDO1DAOKDM5B
SCHEMBL7378242 0.77 CA2 (0.61) DAOCYP1A2
SCHEMBL2626821 0.76 HRH3 (0.60) TAAR1
SCHEMBL28861830 0.75 DAO (0.50) DAOFGFR1CYP1A2
SCHEMBL2092574 0.74 LTA4H (0.67) CHRM2CHRM1CHRM3HTR1BTAAR1
SCHEMBL31739258 0.74 LTA4H (0.67) CHRM2CHRM1CHRM3HTR1BTAAR1
SCHEMBL21772071 0.74 ALDH1A1 (0.43) MAOB
SCHEMBL21519832 0.73 SLC6A4 (0.42) —

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-20210188827-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2021-06-24 — — 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-20210188827-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF ATM, CHEK2, CHEK1 CHRM2 4704/4885CHRM1 4724/4885CHRM3 4422/4885

“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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