SCHEMBL18200313

SCHEMBL18200313

c1ccc(-c2cccc(-c3cccc(-c4nc5ccccc5c5c4ccc4ccccc45)c3)n2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CCR1 P32246 2/20 0.43
CCR5 P51681 2/20 0.43
CCR8 P51685 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TP53 P04637 1/20 0.43
ALPL P05186 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2C9 P11712 3/20 0.40
METAP1 P53582 5/20 0.39
AHR P35869 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL18200637 0.94 DHODH (0.40) KDM4ELMNAHTTMAPK1SMN1; SMN2
SCHEMBL18200314 0.92 CYP2C9 (0.42) KDM4ELMNAHTTMAPK1SMN1; SMN2
SCHEMBL18201070 0.92 CYP2C9 (0.42) KDM4ELMNAHTTMAPK1SMN1; SMN2
SCHEMBL18201253 0.90 MAPK1 (0.41) KDM4ELMNAMAPK1SMN1; SMN2CYP2C9
SCHEMBL18201049 0.89 KDM4E (0.44) KDM4ELMNAHTTMAPK1SMN1; SMN2
SCHEMBL18200409 0.89 MAPK1 (0.40) KDM4ELMNAMAPK1SMN1; SMN2CYP2C9
SCHEMBL18201255 0.88 TSHR (0.39) KDM4ELMNAMAPK1SMN1; SMN2TP53
SCHEMBL18346959 0.88 TSHR (0.39) KDM4ELMNAMAPK1CYP2C9METAP1
SCHEMBL18200418 0.88 TSHR (0.39) KDM4ELMNAMAPK1CYP2C9METAP1
SCHEMBL18200387 0.87 CYP2C9 (0.40) KDM4ELMNAHTTMAPK1SMN1; 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 KDM4E 1977/4885LMNA 3373/4885HTT 2080/4885

“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.