SCHEMBL20174675

SCHEMBL20174675

c1ccc2c(c1)-c1ccccc1C21c2cccc(-c3nc4ccccc4s3)c2-c2c1sc1ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.45
RAB9A P51151 8/20 0.45
NPC1 O15118 7/20 0.45
ALDH1A1 P00352 6/20 0.45
MAPT P10636 6/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
GAA P10253 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 3/20 0.39
TP53 P04637 3/20 0.38
ILK Q13418 3/20 0.38
HCRTR1 O43613 1/20 0.38
GLA P06280 1/20 0.38
HSD17B10 Q99714 3/20 0.37
APP P05067 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL20174678 0.83 AR (0.38) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL24648303 0.83 KDM4E (0.53) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL20174546 0.83 KDM4E (0.45) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL20174666 0.81 ACACA (0.38) KDM4ERAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL22326540 0.79 NPSR1 (0.43) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL20174727 0.79 MAPT (0.41) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL20174595 0.77 MEN1 (0.33) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL22326556 0.77 MAPT (0.41) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL20174592 0.77 PDK2 (0.34) KDM4EMAPT
SCHEMBL20174740 0.77 GPR3 (0.40) KDM4ERAB9ANPC1ALDH1A1MAPT

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 KDM4E 3633/4885RAB9A 2250/4885NPC1 2492/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG KDM4E 3633/4885RAB9A 2250/4885NPC1 2492/4885

“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.