SCHEMBL13041646

SCHEMBL13041646

CC(C)N1C(=O)N(C2CC2)Cc2c(F)cccc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.47
▸ C5AR1 P21730 12/20 0.42
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ AADAT Q8N5Z0 1/20 0.36
▸ GRM4 Q14833 1/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ MEN1 O00255 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
SCHEMBL13041645 0.83 C5AR1 (0.46) C5AR1
SCHEMBL13041624 0.77 C5AR1 (0.47) C5AR1ALDH1A1
SCHEMBL13041636 0.72 C5AR1 (0.45) C5AR1KMT2ANPC1ALDH1A1TSHR
SCHEMBL2866213 0.67 MAPK1 (0.52) MAPK1AADATGRM4
SCHEMBL13041632 0.65 IDH1 (0.37) MAPK1C5AR1ALDH1A1IDH1
SCHEMBL13041627 0.65 ALDH1A1 (0.42) ALDH1A1
SCHEMBL27266585 0.63 SCN9A (0.47) MAPK1AADATSCN9A
SCHEMBL13041626 0.62 OPRM1 (0.39) C5AR1ALDH1A1
SCHEMBL21257797 0.62 MEN1 (0.43) MAPK1KMT2AAADATMEN1
SCHEMBL1477268 0.61 MAPK1 (0.71) MAPK1

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-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 — — 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-20100278835-A1 NOVEL COMPOUNDS 660 RB1, RPP30, SARS1 MAPK1 2919/4885C5AR1 265/4885KMT2A 4545/4885

“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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