SCHEMBL18200837

SCHEMBL18200837

c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)cc4)c3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 4/20 0.41
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 3/20 0.40
DHODH Q02127 2/20 0.40
NTSR1 P30989 1/20 0.39
ACHE P22303 1/20 0.38
GLA P06280 1/20 0.38
NQO2 P16083 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
ADORA2A P29274 1/20 0.36
NUDT1 P36639 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL18200572 1.00 PTGES (0.42) PTGESALDH1A1MAPTHPGDKDM4E
SCHEMBL18200573 1.00 PTGES (0.42) PTGESALDH1A1MAPTHPGDKDM4E
SCHEMBL18201279 1.00 PTGES (0.42) PTGESALDH1A1MAPTHPGDKDM4E
SCHEMBL18346957 1.00 PTGES (0.42) PTGESALDH1A1MAPTHPGDKDM4E
SCHEMBL18201146 0.99 MEN1 (0.43) PTGESALDH1A1MAPTHPGDKDM4E
SCHEMBL18200548 0.99 MEN1 (0.43) PTGESALDH1A1MAPTHPGDKDM4E
SCHEMBL18346954 0.99 MEN1 (0.43) PTGESALDH1A1MAPTHPGDKDM4E
SCHEMBL18200879 0.99 MEN1 (0.43) PTGESALDH1A1MAPTHPGDKDM4E
SCHEMBL18200349 0.97 PTGES (0.42) PTGESALDH1A1MAPTHPGDKDM4E
SCHEMBL18201142 0.97 MEN1 (0.41) PTGESALDH1A1MAPTHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2016-12-29 US disclosed
EP-3088392-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME Heesung Material Ltd. (KR) 2016-11-02 EP 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 (1 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-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME NOTUM, DDT, CRY1 PTGES 558/4885ALDH1A1 85/4885MAPT 1937/4885

“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.