SCHEMBL20174550

SCHEMBL20174550

c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5sc6ccccc6c54)nc4ccccc34)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
WHR1 P49842 1/20 0.34
NUDT1 P36639 3/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
ADORA2A P29274 2/20 0.32
TDP2 O95551 1/20 0.32
NR1I3 Q14994 3/20 0.31
ACACA Q13085 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
VDR P11473 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31
AHR P35869 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 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
SCHEMBL20174541 0.99 MEN1 (0.42) MEN1KMT2AATMWHR1NUDT1
SCHEMBL20174467 0.90 PDK2 (0.34) MEN1KMT2AATMMAPTADORA2A
SCHEMBL22326533 0.88 MEN1 (0.34) MEN1KMT2AATMMAPTADORA2A
SCHEMBL20174445 0.88 MEN1 (0.34) MEN1KMT2AATMMAPTADORA2A
SCHEMBL20174517 0.88 PDK2 (0.36) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL20174528 0.88 PDK2 (0.36) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL20174454 0.87 MEN1 (0.37) MEN1KMT2AATMGAAMAPT
SCHEMBL20174476 0.87 MEN1 (0.35) MEN1KMT2AMAPTACACAKDM4E
SCHEMBL20174524 0.86 MEN1 (0.37) MEN1KMT2AATMMAPTACACA
SCHEMBL20179277 0.86 MEN1 (0.37) MEN1KMT2AATMMAPTACACA

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 MEN1 611/4885KMT2A 1480/4885ATM 902/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG MEN1 611/4885KMT2A 1480/4885ATM 902/4885

“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.