SCHEMBL21742787

SCHEMBL21742787

Cc1c(-c2ccccc2)cccc1-c1cccc2c3ccccc3n(-c3ccccc3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ATM Q13315 1/20 0.49
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
DUSP3 P51452 1/20 0.40
KMT2A Q03164 3/20 0.38
IL1R1 P14778 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
FTO Q9C0B1 1/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.37
CYP17A1 P05093 1/20 0.36
CYP1A2 P05177 1/20 0.36
AVPR1A P37288 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPK14 Q16539 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
SCHEMBL16491724 0.88 L3MBTL1 (0.59) L3MBTL1KDM4EATMDUSP3KMT2A
SCHEMBL27388109 0.87 KDM4E (0.50) L3MBTL1KDM4EATMDUSP3KMT2A
SCHEMBL20706844 0.86 L3MBTL1 (0.65) L3MBTL1KDM4EATMDUSP3KMT2A
SCHEMBL30017427 0.86 L3MBTL1 (0.65) L3MBTL1KDM4EATMDUSP3KMT2A
SCHEMBL19010474 0.85 L3MBTL1 (0.52) L3MBTL1KDM4EATMPDCD1CD274
SCHEMBL15502691 0.85 L3MBTL1 (0.52) L3MBTL1KDM4EATMDUSP3KMT2A
SCHEMBL18435975 0.84 L3MBTL1 (0.55) L3MBTL1KDM4EATMDUSP3KMT2A
SCHEMBL20706851 0.84 L3MBTL1 (0.55) L3MBTL1KDM4EATMDUSP3KMT2A
SCHEMBL14296000 0.84 L3MBTL1 (0.59) L3MBTL1KDM4EATMDUSP3KMT2A
SCHEMBL14296105 0.84 L3MBTL1 (0.63) L3MBTL1KDM4EATMDUSP3KMT2A

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-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-02-20 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-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES PNMT, DDT, TYR L3MBTL1 2878/4885KDM4E 3201/4885ATM 1504/4885

“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.