SCHEMBL18232181

SCHEMBL18232181

c1ccc(-c2nc(-n3c4ccccc4c4c5cc(-c6ccc7sc8ccccc8c7c6)ccc5ccc43)nc3ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
LMNA P02545 1/20 0.38
ATM Q13315 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NUDT1 P36639 3/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADORA2A P29274 2/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
GAA P10253 1/20 0.31
SCN9A Q15858 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
SCHEMBL18232182 0.99 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL20427437 0.99 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL20427436 0.99 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL19428886 0.95 ALDH1A1 (0.36) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL20427439 0.95 ALDH1A1 (0.36) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL18232188 0.94 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL25630515 0.94 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL19428931 0.93 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL18232196 0.93 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL19428927 0.93 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035765-B2 Nitrogen-containing polycyclic compound and organic light emitting device using same LG CHEM, LTD. (KR) 2018-07-31 US disclosed
US-10035765-B2 Nitrogen-containing polycyclic compound and organic light emitting device using same LG CHEM, LTD. (KR) 2018-07-31 US disclosed
US-9947878-B2 Organic light-emitting device LG CHEM, LTD. (KR) 2018-04-17 US disclosed
US-9947878-B2 Organic light-emitting device LG CHEM, LTD. (KR) 2018-04-17 US disclosed
US-20170283379-A1 NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME (AS AMENDED) LG CHEM, LTD. (KR) 2017-10-05 US disclosed
US-20170283379-A1 NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME (AS AMENDED) LG CHEM, LTD. (KR) 2017-10-05 US disclosed
US-20170012217-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2017-01-12 US disclosed
US-20170012217-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2017-01-12 US disclosed
US-20160336518-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2016-11-17 US disclosed
US-20160336518-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2016-11-17 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-20170283379-A1 NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME (AS AMENDED) PER2, CRY1, CRY2 ALDH1A1 1815/4885HPGD 2416/4885KDM4E 1594/4885
US-10035765-B2 Nitrogen-containing polycyclic compound and organic light emitting device using same NPM1, PER2, CRY1 ALDH1A1 2342/4885HPGD 2452/4885KDM4E 1641/4885

“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.