SCHEMBL18067919

SCHEMBL18067919

CCCCc1ccc2c(c1)cc(CC)n2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ HTT P42858 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SKP2 Q13309 1/20 0.40
▸ HSD11B1 P28845 1/20 0.39
▸ PLA2G4A P47712 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ OXER1 Q8TDS5 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RORA P35398 1/20 0.37
▸ RORC P51449 1/20 0.37
▸ RORB Q92753 1/20 0.37

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
SCHEMBL16979076 0.84 CYP1A2 (0.44) MEN1KMT2AHPGDKDM4EALOX15
SCHEMBL18067913 0.81 MEN1 (0.39) MEN1KMT2AHPGDKDM4EALOX15
SCHEMBL16894438 0.77 MEN1 (0.42) MEN1KMT2AHPGDKDM4EALOX15
SCHEMBL20748480 0.76 TLR8 (0.44) MEN1KMT2AHPGDKDM4EALOX15
SCHEMBL1315631 0.76 HTR2A (0.42) MEN1KMT2AHPGDKDM4EALOX15
SCHEMBL19631268 0.75 MEN1 (0.39) MEN1KMT2AHPGDKDM4EALOX15
SCHEMBL20014473 0.74 OXER1 (0.47) MEN1KMT2AOXER1
SCHEMBL16452837 0.74 MAPT (0.50) MEN1KMT2ALMNAMAPTDHFR
SCHEMBL12083618 0.74 KDM4E (0.51) HPGDKDM4ENPSR1HTTSKP2
SCHEMBL10111229 0.73 PRKCI (0.49) SKP2HSD11B1OXER1RORARORC

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-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-15 — — 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-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES POLRMT, POLR1C, FBL MEN1 3377/4885KMT2A 3554/4885HPGD 2223/4885

“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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