SCHEMBL21736376

SCHEMBL21736376

c1ccc(-n2c3ccccc3c3c(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)c5c(n4)oc4ccccc45)cccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN5 P54829 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN11 Q06124 1/20 0.32

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
SCHEMBL21736008 0.91 SMN1; SMN2 (0.32) SMN1; SMN2LMNAALDH1A1CYP1A2CYP2C9
SCHEMBL21736486 0.90 SMN1; SMN2 (0.32) SMN1; SMN2LMNAALDH1A1NPSR1L3MBTL1
SCHEMBL20670060 0.86 SMN1; SMN2 (0.38) SMN1; SMN2LMNAALDH1A1CYP1A2CYP2C9
SCHEMBL21736293 0.86 SMN1; SMN2 (0.38) SMN1; SMN2LMNAALDH1A1CYP1A2CYP2C9
SCHEMBL21736006 0.86 TSHR (0.38) SMN1; SMN2LMNAALDH1A1NPSR1L3MBTL1
SCHEMBL20669777 0.85 ALDH1A1 (0.32) SMN1; SMN2LMNAALDH1A1L3MBTL1HPGD
SCHEMBL21736496 0.85 ALOX5 (0.36) SMN1; SMN2LMNAATM
SCHEMBL21735860 0.84 TSHR (0.37) SMN1; SMN2LMNAALDH1A1CYP1A2CYP2C9
SCHEMBL24382910 0.83 KDM4E (0.35) SMN1; SMN2LMNAL3MBTL1KDM4EATM
SCHEMBL21736044 0.83 SMN1; SMN2 (0.35) SMN1; SMN2LMNAALDH1A1CYP1A2CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530225-B2 Compound and organic light-emitting diode comprising same LG CHEM, LTD. (KR) 2022-12-20 US disclosed
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-20 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-11530225-B2 Compound and organic light-emitting diode comprising same CRY1, CRY2, TRPA1 SMN1; SMN2 1814/4885LMNA 3949/4885ALDH1A1 14/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 SMN1; SMN2 1814/4885LMNA 3949/4885ALDH1A1 14/4885

“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.