SCHEMBL22004308

SCHEMBL22004308

Cc1c(C)n(C(C)C)c2ccc(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.48
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.44
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
ACLY P53396 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.38
KCNH2 Q12809 2/20 0.37
ATM Q13315 1/20 0.36
PLA2G4A P47712 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR6 P50406 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
SCHEMBL13222023 0.83 MAPT (0.51) MAPTTHRBPTGDR2HTR2AHTR2C
SCHEMBL11602562 0.82 RAB9A (0.52) RAB9AMAPTTHRBPTGDR2HTR2A
SCHEMBL22003801 0.79 PTGDR2 (0.45) MAPTTHRBPTGDR2ACLYKDM4E
SCHEMBL15134031 0.79 KDM4E (0.39) MAPTKDM4EGAAATMPLA2G4A
SCHEMBL22005102 0.78 ACLY (0.46) RAB9AMAPTTHRBPTGDR2HTR2A
SCHEMBL31257736 0.77 NTRK1 (0.42) MAPTTHRBPTGDR2KDM4EGAA
SCHEMBL21782165 0.76 RAB9A (0.55) RAB9AMAPTHTR2AHTR2CACLY
SCHEMBL14690041 0.75 ALDH1A1 (0.41) RAB9AMAPTKDM4EGAAATM
SCHEMBL6251376 0.74 RAB9A (0.50) RAB9AMAPTPTGDR2HTR2AHTR2C
SCHEMBL7665546 0.73 ALDH1A1 (0.46) MAPTKDM4EGAAATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020102616-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. (US) 2020-05-22 WO disclosed
US-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG RAB9A 4051/4885MAPT 4477/4885THRB 4208/4885

“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.