SCHEMBL9136994

SCHEMBL9136994

c1ccc(-c2cc3ccc4ccccc4n3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 4/20 0.45
PARP1 P09874 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
HTT P42858 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
PDE10A Q9Y233 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADORA3 P0DMS8 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
SCHEMBL18750714 0.97 NPC1 (0.44) NPC1RAB9AKDM4EMAPTPARP1
SCHEMBL18750707 0.95 NPC1 (0.40) NPC1RAB9AKDM4EMAPTPARP1
SCHEMBL18750689 0.94 TP53 (0.43) NPC1RAB9AKDM4EMAPTPARP1
SCHEMBL18750715 0.94 NPC1 (0.42) NPC1RAB9AKDM4EMAPTPARP1
SCHEMBL18750697 0.92 TP53 (0.42) NPC1RAB9AKDM4EMAPTPARP1
SCHEMBL18750710 0.92 NPC1 (0.41) NPC1RAB9AKDM4EMAPTPARP1
SCHEMBL18750679 0.92 NPC1 (0.40) NPC1RAB9AKDM4EMAPTPARP1
SCHEMBL18750693 0.89 TP53 (0.40) NPC1RAB9AKDM4EMAPTPARP1
SCHEMBL18750669 0.89 MEN1 (0.44) NPC1RAB9AKDM4EMAPTPARP1
SCHEMBL18750686 0.89 CYP1A1 (0.41) NPC1RAB9AKDM4EMAPTPARP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10344030-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2019-07-09 US disclosed
US-20170107217-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2017-04-20 US disclosed
US-20170107217-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2017-04-20 US disclosed
US-5457200-A Oxidative coupling reactions for determination of hydrogen peroxide BOEHRINGER MANNHEIM (DE) 1995-10-10 US disclosed
US-5234818-A Detecting hydrogen peroxide, peroxidase by oxidative coupling with electron-rich aromatic compound BOEHRINGER MANNHEIM GMBH (DE) 1993-08-10 US 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 (2 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-20170107217-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, CRY2, CYBA NPC1 4299/4885RAB9A 3913/4885KDM4E 3298/4885
US-10344030-B2 Heterocyclic compound and organic light emitting device using same CRY1, CRY2, CYBA NPC1 4299/4885RAB9A 3913/4885KDM4E 3298/4885

“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.