SCHEMBL22096079

SCHEMBL22096079

CC(C)(C)c1cn2c3c(cccc3c1=O)CCCC2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MTNR1A P48039 7/20 0.42
MTNR1B P49286 7/20 0.42
OPA1 O60313 1/20 0.40
EIF5B O60841 1/20 0.40
MET P08581 1/20 0.40
HMOX2 P30519 1/20 0.40
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL20365440 0.84 HTR2A (0.54) HTR2AHTR2CALDH1A1HPGDUSP2
SCHEMBL23221087 0.79 HPGD (0.55) HTR2AHTR2CALDH1A1HPGDUSP2
SCHEMBL25030544 0.78 MEN1 (0.42) HTR2AHTR2CALDH1A1HPGDUSP2
SCHEMBL17553683 0.76 HTR2A (0.54) HTR2AHTR2CALDH1A1HPGDUSP2
SCHEMBL23691134 0.76 HTR2A (0.55) HTR2AHTR2CALDH1A1HPGDUSP2
SCHEMBL26370481 0.74 HPGD (0.46) HTR2AHTR2CALDH1A1HPGDUSP2
SCHEMBL9559917 0.71 PIM1 (0.56) HTR2AHTR2CALDH1A1HPGDUSP2
SCHEMBL10100276 0.71 HTR2A (0.59) HTR2AHTR2CALDH1A1HPGDUSP2
SCHEMBL8039755 0.71 HTR2A (0.49) HTR2AHTR2CALDH1A1HPGDUSP2
SCHEMBL2261530 0.70 HTR2A (0.48) HTR2AHTR2CMTNR1AMTNR1BMCL1

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-10683278-B2 Substituted quinolone derivatives, or pharmaceutically acceptable salts or stereoisomers thereof, and pharmaceutical compositions and use thereof SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) 2020-06-16 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-10683278-B2 Substituted quinolone derivatives, or pharmaceutically acceptable salts or stereoisomers thereof, and pharmaceutical compositions and use thereof NRAS, AXL, ABL1 HTR2A 4274/4885HTR2C 4112/4885ALDH1A1 3691/4885

“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.