SCHEMBL20199293

SCHEMBL20199293

c1ccc(N(c2ccc(-c3cccc4c3C3(c5ccccc5-4)c4ccccc4-c4c3sc3ccccc43)cc2)c2ccc(-c3cccc4ccccc34)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
F9 P00740 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 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
SCHEMBL20199257 0.93 PTPN1 (0.33) F9
SCHEMBL20199252 0.91 MCL1 (0.33) CA12CA1CA2CA9HDAC8
SCHEMBL20174939 0.91 MCL1 (0.33) CA12CA1CA2CA9HDAC8
SCHEMBL20199238 0.91 MCL1 (0.33) CA12CA1CA2CA9HDAC8
SCHEMBL20199255 0.88 S1PR5 (0.32)
SCHEMBL20175152 0.86 MCL1 (0.30) F9
SCHEMBL20175162 0.83
SCHEMBL26284300 0.83
SCHEMBL26884913 0.82 CA12 (0.40) CA12CA1CA2CA9HDAC8
SCHEMBL20199231 0.82 GPR84 (0.31)

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-10781366-B2 Spiro compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2020-09-22 US disclosed
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 US disclosed
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 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-10781366-B2 Spiro compound and organic light-emitting device comprising same CRY1, NR2E3, ERG CA12 2399/4885CA1 3361/4885CA2 3615/4885
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG CA12 2399/4885CA1 3361/4885CA2 3615/4885

“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.