SCHEMBL18201282

SCHEMBL18201282

c1cc(-c2nccc3ccccc23)nc(-c2nc3ccccc3c3c2ccc2ccccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
MAPT P10636 5/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 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
TOP2A P11388 1/20 0.39
GPR55 Q9Y2T6 1/20 0.38
HTR2C P28335 1/20 0.36
CYP2A6 P11509 1/20 0.36
F12 P00748 1/20 0.36
PLAU P00749 1/20 0.36
NCF1 P14598 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
BACE1 P56817 1/20 0.36
CYP3A4 P08684 3/20 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
SCHEMBL18201312 0.89 KDM4E (0.40) KDM4EMAPTNPC1RAB9AL3MBTL1
SCHEMBL18201274 0.85 TGFBR1 (0.44) KDM4ENPC1RAB9ATOP2ACYP3A4
SCHEMBL18200904 0.84 RAB9A (0.48) KDM4EMAPTNPC1RAB9AL3MBTL1
SCHEMBL18200906 0.83 MEN1 (0.43) KDM4EMAPTNPC1L3MBTL1KMT2A
SCHEMBL18201325 0.83 KDM4E (0.41) KDM4EMAPTNPC1RAB9AL3MBTL1
SCHEMBL18201178 0.83 METAP1 (0.48) KDM4EMAPTNPC1RAB9AL3MBTL1
SCHEMBL17034862 0.82 NPC1 (0.46) KDM4EMAPTNPC1RAB9AL3MBTL1
SCHEMBL18200546 0.82 MAPT (0.40) KDM4EMAPTNPC1RAB9AL3MBTL1
SCHEMBL18201276 0.82 CYP3A4 (0.44) KMT2ATOP2AHTR2CCYP3A4LMNA
SCHEMBL18200680 0.82 MAPT (0.40) KDM4EMAPTNPC1RAB9AL3MBTL1

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 1977/4885MAPT 1937/4885NPC1 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.