SCHEMBL18201152

SCHEMBL18201152

Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(-c4nc5ccccc5c5c4ccc4ccccc45)c4ncccc34)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.41
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
XBP1 P17861 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
TDP1 Q9NUW8 2/20 0.36
CKS1B P61024 1/20 0.36
SKP2 Q13309 1/20 0.36
MAPT P10636 5/20 0.36
ALDH1A1 P00352 5/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TOP1 P11387 1/20 0.35

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
SCHEMBL18200835 0.92 LMNA (0.37) HTTNPC1RAB9AATMTDP1
SCHEMBL18201150 0.89 MEN1 (0.40) HTTNPC1RAB9ANPSR1MAPT
SCHEMBL18200568 0.88 TOP2A (0.34) HTTNPSR1TDP1MAPTALDH1A1
SCHEMBL18200567 0.87 TOP2A (0.40) HTTNPC1RAB9ACYP1A2TDP1
SCHEMBL18201151 0.85 ALDH1A1 (0.41) HTTNPC1RAB9ANPSR1CYP1A2
SCHEMBL18201160 0.85 CYP1A2 (0.43) HTTNPC1RAB9ACYP1A2TDP1
SCHEMBL18200569 0.85 METAP1 (0.43) NPC1RAB9ANPSR1TDP1MAPT
SCHEMBL18200873 0.85 CYP3A4 (0.40) HTTNPC1CYP1A2TDP1MAPT
SCHEMBL18200833 0.84 TOP1 (0.46) NPC1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL18201251 0.84 TOP2A (0.40) HTTNPC1RAB9ANPSR1CYP1A2

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 COMT 140/4885HTT 2080/4885NPC1 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.