SCHEMBL21453333

SCHEMBL21453333

c1ccc(N2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2nc(-c4cccnc4)nc(-c4cccnc4)n2)c2ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 8/20 0.38
MAPT P10636 5/20 0.38
HSD17B10 Q99714 4/20 0.38
LMNA P02545 4/20 0.38
TP53 P04637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA4 P43681 1/20 0.38
CYP1A2 P05177 5/20 0.38
CYP3A4 P08684 5/20 0.38
CLK4 Q9HAZ1 4/20 0.38
TSHR P16473 4/20 0.38

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
SCHEMBL21453331 0.99 NPC1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL21453357 0.92 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL21454024 0.88 ADAMTS5 (0.39) NPC1RAB9AALDH1A1MAPTHSD17B10
SCHEMBL21453353 0.86 CYP19A1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL21453355 0.86 CYP19A1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL21453329 0.84 RAB9A (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL21453327 0.84 CYP19A1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL21453687 0.82 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL21454025 0.82 L3MBTL1 (0.42) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL20689831 0.80 L3MBTL1 (0.41) NPC1RAB9AALDH1A1MAPTLMNA

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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-10 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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLCO4C1, SLCO2A1, SLCO1A2 NPC1 125/4885RAB9A 2351/4885SMN1; SMN2 3965/4885

“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.