SCHEMBL20174678

SCHEMBL20174678

c1ccc2c(c1)-c1ccccc1C21c2cccc(-c3ccc4ccccc4n3)c2-c2c1sc1ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.38
RAB9A P51151 7/20 0.34
NPC1 O15118 6/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.32
TGFBR1 P36897 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL20174682 0.84 LMNA (0.35) SMN1; SMN2MEN1POLBKMT2ALMNA
SCHEMBL20174557 0.84 AR (0.40) ARRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL20174675 0.83 KDM4E (0.45) RAB9ANPC1SMN1; SMN2MEN1POLB
SCHEMBL20174666 0.82 ACACA (0.38) RAB9ASMN1; SMN2POLBLMNAKDM4E
SCHEMBL22326587 0.81
SCHEMBL20174674 0.78 NPC1 (0.34) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL20174681 0.77 ACACA (0.38) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL22326540 0.77 NPSR1 (0.43) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL21868024 0.77 RAB9A (0.41) ARRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL20174617 0.77 CYP1A1 (0.37) SMN1; SMN2MEN1KMT2ALMNAKDM4E

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 AR 11/4885RAB9A 2250/4885NPC1 2492/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG AR 11/4885RAB9A 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.