SCHEMBL20174674

SCHEMBL20174674

c1ccc2c(c1)-c1c(-c3cnc4ccccc4n3)cccc1C21c2ccccc2-c2c1sc1ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.34
RAB9A P51151 5/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK10 P53779 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
PDE10A Q9Y233 1/20 0.33
BCHE P06276 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
SCHEMBL20174552 0.85 NPC1 (0.33) NPC1RAB9AALDH1A1MAPK10SMN1; SMN2
SCHEMBL20174681 0.83 ACACA (0.38) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL24648298 0.81 ALDH1A1 (0.41) NPC1RAB9AALDH1A1MAPK10SMN1; SMN2
SCHEMBL22326587 0.80
SCHEMBL20174636 0.80 KDM4E (0.41) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL20174678 0.78 AR (0.38) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL20174740 0.77 GPR3 (0.40) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL21868321 0.77 ALDH1A1 (0.41) NPC1RAB9AALDH1A1MAPK10SMN1; SMN2
SCHEMBL20174668 0.76 ALDH1A1 (0.40) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL20174576 0.76 MAPT (0.33) ALDH1A1MAPK10SMN1; SMN2KDM4EGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738034-B2 Spiro compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2020-08-11 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 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 (2 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-10738034-B2 Spiro compound and organic light-emitting device comprising same CRY1, NR2E3, ERG NPC1 2492/4885RAB9A 2250/4885ALDH1A1 33/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG NPC1 2492/4885RAB9A 2250/4885ALDH1A1 33/4885

“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.