SCHEMBL21397037

SCHEMBL21397037

N#Cc1cc(-c2ccc(N3c4ccccc4Sc4ccccc43)nc2)ccc1N1c2ccccc2Sc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
ALDH1A1 P00352 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
BMPR1B O00238 2/20 0.34
BMPR1A P36894 2/20 0.34
ACVR1B P36896 2/20 0.34
ACVRL1 P37023 2/20 0.34
ACVR1 Q04771 2/20 0.34
CNR2 P34972 1/20 0.34
CYP11B2 P19099 1/20 0.33
KDM4E B2RXH2 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL21397130 0.83 ALDH1A1 (0.35) ALDH1A1NPSR1TDP1BMPR1BBMPR1A
SCHEMBL17952811 0.83 MAOA (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21397034 0.81 LMNA (0.36) FNTAFNTBALDH1A1KDM4EL3MBTL1
SCHEMBL21397027 0.81 ALDH1A1 (0.36) ALDH1A1NPSR1TDP1BMPR1BBMPR1A
SCHEMBL21396740 0.81 ALDH1A1 (0.34) ALDH1A1NPSR1TDP1BMPR1BBMPR1A
SCHEMBL14550941 0.81 MAOA (0.34) TDP1CNR2L3MBTL1MEN1KMT2A
SCHEMBL21397036 0.80 FNTA (0.36) FNTAFNTBALDH1A1CNR2SMN1; SMN2
SCHEMBL21396791 0.79 ALDH1A1 (0.35) ALDH1A1NPSR1TDP1BMPR1BBMPR1A
SCHEMBL21396694 0.79 ALDH1A1 (0.35) ALDH1A1NPSR1TDP1BMPR1BBMPR1A
SCHEMBL21396945 0.79 BMPR1B (0.34) ALDH1A1NPSR1TDP1BMPR1BBMPR1A

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 1931/4885ALDH1A1 825/4885

“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.