SCHEMBL20199172

SCHEMBL20199172

c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4sc5ccccc5c43)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALOX5 P09917 1/20 0.30

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
SCHEMBL20175044 0.99 KDM4E (0.32) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL20174805 0.93 PDK2 (0.33) ALOX5
SCHEMBL20199122 0.93 PDK2 (0.33) ALOX5
SCHEMBL20199137 0.92 ALDH1A1 (0.34) ALDH1A1MAPTTDP1L3MBTL1ALOX5
SCHEMBL20199134 0.92 PDK2 (0.33)
SCHEMBL20199151 0.90 ALOX5 (0.33) ALOX5
SCHEMBL20199086 0.90 F9 (0.31)
SCHEMBL20175064 0.90 KDM4E (0.31) KDM4EMAPT
SCHEMBL20199110 0.90 S1PR4 (0.31)
SCHEMBL20199163 0.89 F9 (0.32)

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 KDM4E 3633/4885ALDH1A1 33/4885CYP1A2 436/4885
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG KDM4E 3633/4885ALDH1A1 33/4885CYP1A2 436/4885

“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.