SCHEMBL18200547

SCHEMBL18200547

c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4nc5ccccc5c5c4ccc4ccccc45)cn3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 3/20 0.41
PTGES O14684 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
DHODH Q02127 2/20 0.38
ACHE P22303 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NQO2 P16083 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 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
SCHEMBL18200545 0.93 MAPT (0.40) MAPTALDH1A1HPGDKDM4EPTGES
SCHEMBL18200574 0.92 PTGES (0.39) MAPTALDH1A1HPGDKDM4EPTGES
SCHEMBL18200570 0.92 PTGES (0.39) MAPTALDH1A1HPGDKDM4EPTGES
SCHEMBL18200721 0.92 PTGES (0.39) MAPTALDH1A1HPGDKDM4EPTGES
SCHEMBL18200544 0.91 MEN1 (0.44) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL18201113 0.91 MAPT (0.40) MAPTALDH1A1HPGDKDM4EPTGES
SCHEMBL18201061 0.90 MAPT (0.41) MAPTALDH1A1HPGDKDM4EPTGES
SCHEMBL18201059 0.89 MAPT (0.41) MAPTALDH1A1HPGDKDM4EPTGES
SCHEMBL18200700 0.88 DHODH (0.41) MAPTALDH1A1HPGDKDM4EPTGES
SCHEMBL18200708 0.88 AURKA (0.36) MAPTALDH1A1HPGDKDM4ESMN1; 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 MAPT 1937/4885ALDH1A1 85/4885HPGD 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.