SCHEMBL18200430

SCHEMBL18200430

c1cc(-c2cccc(-c3nc4ccccc4c4c3ccc3ccccc34)c2)cc(-c2cc(-c3cc4ccccc4c4ccccc34)nc(-c3cc4ccccc4c4ccccc34)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPY1R P25929 1/20 0.35
HTT P42858 1/20 0.35
NPY2R P49146 1/20 0.35
CYP11B1 P15538 1/20 0.33
RECQL P46063 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ADORA2A P29274 1/20 0.33
NQO2 P16083 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
SCHEMBL18200849 0.99 MAPT (0.39) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL18201117 0.96 MAPT (0.39) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL18201288 0.96 ALDH1A1 (0.37) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL18200510 0.93 MAPT (0.37) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL18200739 0.92 MAPT (0.38) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL18201201 0.91 MEN1 (0.37) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL18201101 0.90 KDM4E (0.40) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL18200445 0.90 MAPT (0.37) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL18200836 0.89 MEN1 (0.37) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL18201273 0.89 KDM4E (0.39) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2

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 ALDH1A1 85/4885MAPT 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.