SCHEMBL18200546

SCHEMBL18200546

c1ccc2c(-c3ccc(-c4nc5ccccc5c5c4ccc4ccccc45)nc3)nccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
KDM4E B2RXH2 5/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 2/20 0.40
GLA P06280 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPY5R Q15761 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
TOP2A P11388 1/20 0.36
MAPK1 P28482 3/20 0.36
CYP3A4 P08684 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CASP1 P29466 1/20 0.36
CYP2C19 P33261 1/20 0.36
CASP7 P55210 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
SCHEMBL18200680 0.95 MAPT (0.40) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL18200871 0.87 MAPT (0.40) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL18201312 0.87 KDM4E (0.40) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL18200828 0.85 CA12 (0.47) CYP3A4CYP1A2
SCHEMBL18346941 0.85 DHODH (0.44) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL18201183 0.85 NPC1 (0.42) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL18201113 0.84 MAPT (0.40) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL18200864 0.84 MEN1 (0.39) MAPTKDM4ENPC1RAB9AKMT2A
SCHEMBL18200475 0.84 HPGDS (0.41) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL18201325 0.84 KDM4E (0.41) MAPTKDM4ENPC1RAB9AL3MBTL1

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 MAPT 1937/4885KDM4E 1977/4885NPC1 3875/4885

“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.