SCHEMBL18200719

SCHEMBL18200719

c1ccc(-c2cc(-c3ccccc3)nc(-c3cnc(-c4nc5ccccc5c5c4ccc4ccccc45)cn3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PTGES O14684 1/20 0.39
ACHE P22303 1/20 0.38
CYP19A1 P11511 1/20 0.38
DHODH Q02127 2/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
PDE10A Q9Y233 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35

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
SCHEMBL18201263 0.91 MAPT (0.40) KDM4EMAPTHPGDALDH1A1PTGES
SCHEMBL18201262 0.91 MAPT (0.40) KDM4EMAPTHPGDALDH1A1PTGES
SCHEMBL18201261 0.91 MAPT (0.40) KDM4EMAPTHPGDALDH1A1PTGES
SCHEMBL18200715 0.90 MAPT (0.42) KDM4EMAPTHPGDALDH1A1PTGES
SCHEMBL18200807 0.88 NPC1 (0.42) KDM4EMAPTHPGDALDH1A1PTGES
SCHEMBL18200994 0.86 PTGES (0.45) KDM4EMAPTHPGDALDH1A1PTGES
SCHEMBL18200987 0.86 PTGES (0.45) KDM4EMAPTHPGDALDH1A1PTGES
SCHEMBL18201074 0.82 PTGES (0.43) KDM4EMAPTHPGDALDH1A1PTGES
SCHEMBL18201080 0.82 HPGD (0.44) KDM4EMAPTHPGDALDH1A1PTGES
SCHEMBL23081859 0.82 DHODH (0.44) KDM4EMAPTHPGDALDH1A1PTGES

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 KDM4E 1977/4885MAPT 1937/4885HPGD 421/4885

“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.