SCHEMBL20174540

SCHEMBL20174540

c1cncc(-c2cccc3c2C2(c4ccccc4-c4ccccc42)c2c-3sc3ccccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.42
PDK2 Q15119 3/20 0.41
CYP11B2 P19099 1/20 0.39
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2A6 P11509 4/20 0.35
DHPS P49366 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TGFBR1 P36897 1/20 0.34

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
SCHEMBL20174511 0.82 ALDH1A1 (0.39) CYP11B1PDK2CYP11B2RAB9ANPC1
SCHEMBL20174662 0.82 PDK2 (0.43) CYP11B1PDK2CYP11B2RAB9ANPC1
SCHEMBL18590025 0.81 PDK2 (0.42) CYP11B1PDK2CYP11B2RAB9ANPC1
SCHEMBL20174530 0.80 ALDH1A1 (0.38) CYP11B1PDK2RAB9ANPC1ALDH1A1
SCHEMBL20174442 0.78 MEN1 (0.36) ALOX5ALDH1A1KDM4EMAPTHPGD
SCHEMBL17533936 0.77 GPR3 (0.40) RAB9AALOX5ALDH1A1KDM4EMAPT
SCHEMBL20199185 0.76 F9 (0.32) ALOX5
SCHEMBL20174555 0.76 ACACA (0.40) ALOX5ALDH1A1KDM4EMAPTHPGD
SCHEMBL20174536 0.75 KDM4E (0.36) PDK2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL20174473 0.75 PDK2 (0.35) PDK2ALOX5MEN1KMT2A

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 CYP11B1 618/4885PDK2 651/4885CYP11B2 397/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG CYP11B1 618/4885PDK2 651/4885CYP11B2 397/4885

“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.