SCHEMBL18200835

SCHEMBL18200835

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5ccccc5c5c4ccc4ccccc45)c4ncccc34)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
TOP2A P11388 1/20 0.37
TOP1 P11387 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
CYP3A4 P08684 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 2/20 0.34
GMNN O75496 1/20 0.34
TP53 P04637 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MMP2 P08253 1/20 0.34

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
SCHEMBL18201150 0.94 MEN1 (0.40) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL18201151 0.92 ALDH1A1 (0.41) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL18201152 0.92 COMT (0.41) LMNAMAPTSMN1; SMN2NPC1RECQL
SCHEMBL18200567 0.92 TOP2A (0.40) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL18200568 0.91 TOP2A (0.34) LMNAMAPTSMN1; SMN2TOP2ATOP1
SCHEMBL18200833 0.91 TOP1 (0.46) MAPTSMN1; SMN2NPC1TOP2ATOP1
SCHEMBL18200694 0.90 TOP1 (0.43) LMNAMAPTSMN1; SMN2TOP2ATOP1
SCHEMBL18201160 0.90 CYP1A2 (0.43) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL18200873 0.90 CYP3A4 (0.40) LMNAMAPTSMN1; SMN2NPC1TOP2A
SCHEMBL18200569 0.90 METAP1 (0.43) LMNAMAPTSMN1; SMN2NPC1RECQL

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 LMNA 3373/4885MAPT 1937/4885SMN1; SMN2 3944/4885

“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.