SCHEMBL18201183

SCHEMBL18201183

c1ccc2c(-c3cnc(-c4nc5ccccc5c5c4ccc4ccccc45)nc3)nccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
KDM4E B2RXH2 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GPR55 Q9Y2T6 1/20 0.42
MAPT P10636 5/20 0.42
KMT2A Q03164 2/20 0.42
GLA P06280 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
RECQL P46063 1/20 0.41
TOP2A P11388 1/20 0.38
MAPK1 P28482 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP1A2 P05177 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CYP2C19 P33261 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
SCHEMBL18200710 0.86 NPC1 (0.49) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL18201166 0.86 CYP1A2 (0.51) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL18200546 0.85 MAPT (0.40) NPC1RAB9AKDM4EL3MBTL1GPR55
SCHEMBL18201265 0.84 MAPT (0.43) NPC1RAB9AKDM4EL3MBTL1MAPT
SCHEMBL18200678 0.84 NPC1 (0.50) NPC1RAB9AKDM4EMAPTKMT2A
SCHEMBL18201305 0.82 MEN1 (0.45) NPC1RAB9AKDM4EMAPTKMT2A
SCHEMBL18200680 0.82 MAPT (0.40) NPC1RAB9AKDM4EL3MBTL1GPR55
SCHEMBL18201266 0.82 SMN1; SMN2 (0.41) NPC1RAB9AKDM4EMAPTKMT2A
SCHEMBL18201312 0.81 KDM4E (0.40) NPC1RAB9AKDM4EL3MBTL1GPR55
SCHEMBL18201176 0.81 CYP3A4 (0.43) NPC1RAB9AMAPTSMN1; SMN2LMNA

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 NPC1 3875/4885RAB9A 2864/4885KDM4E 1977/4885

“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.