SCHEMBL21397036

SCHEMBL21397036

N#Cc1ccc(N2c3ccccc3Sc3ccccc32)cc1-c1ccc(N2c3ccccc3Sc3ccccc32)nc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
RET P07949 4/20 0.33
NR3C1 P04150 1/20 0.32
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL21397151 0.84 GPR119 (0.33) RETNR3C1CNR2ALDH1A1LMNA
SCHEMBL19344993 0.83 HDAC6 (0.42) FNTAFNTBHDAC6ALDH1A1LMNA
SCHEMBL21396938 0.82 RET (0.35) RETHDAC1
SCHEMBL21396767 0.82 AR (0.40) RETGPR119HDAC1
SCHEMBL21397037 0.80 FNTA (0.35) FNTAFNTBCNR2ALDH1A1SMN1; SMN2
SCHEMBL21397047 0.80 HDAC6 (0.35) FNTAFNTBHDAC6ALDH1A1LMNA
SCHEMBL21397034 0.78 LMNA (0.36) FNTAFNTBALDH1A1LMNAMAPK1
SCHEMBL21396728 0.78 AR (0.32) RETGPR119HDAC1
SCHEMBL19344939 0.77 HDAC6 (0.39) FNTAFNTBHDAC6ALDH1A1LMNA
SCHEMBL17952811 0.77 MAOA (0.42) HDAC6ALDH1A1SMN1; SMN2

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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 FNTA 2086/4885FNTB 1931/4885HDAC6 4149/4885

“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.