SCHEMBL21622873

SCHEMBL21622873

Clc1ccccc1Nc1ccc2c(c1)nc1ccccn12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.58
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 4/20 0.58
GLA P06280 4/20 0.58
GAA P10253 4/20 0.58
RAB9A P51151 4/20 0.58
POLB P06746 3/20 0.58
HPGD P15428 3/20 0.58
KMT2A Q03164 3/20 0.58
MAPT P10636 2/20 0.58
MEN1 O00255 2/20 0.58
HSD17B10 Q99714 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CDK2 P24941 1/20 0.45
LCK P06239 2/20 0.42
CSNK2A2 P19784 2/20 0.42
CSNK2B P67870 2/20 0.42
CSNK2A1 P68400 2/20 0.42
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40

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
SCHEMBL21616815 0.89 KDM4E (0.61) NPC1KDM4EALDH1A1GLAGAA
SCHEMBL29637129 0.89 KDM4E (0.61) NPC1KDM4EALDH1A1GLAGAA
SCHEMBL21623398 0.84 MAPK8 (0.44) NPC1KDM4EALDH1A1GLAGAA
SCHEMBL21622870 0.80 LCK (0.52) NPC1KDM4EALDH1A1GLAGAA
SCHEMBL21622753 0.75 NPC1 (0.47) NPC1KDM4EALDH1A1GLAGAA
SCHEMBL21622730 0.75 NPC1 (0.50) NPC1KDM4EALDH1A1GLAGAA
SCHEMBL21622729 0.75 LCK (0.53) NPC1ALDH1A1GAARAB9AHPGD
SCHEMBL21622752 0.74 NPC1 (0.44) NPC1KDM4EALDH1A1GLAGAA
SCHEMBL18934627 0.71 MAPK8 (0.41) NPC1KDM4EALDH1A1RAB9APOLB
SCHEMBL24553486 0.70 ALDH1A1 (0.60) NPC1KDM4EALDH1A1GLAGAA

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-11581497-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-02-14 US disclosed
EP-3820966-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-06-08 EP disclosed
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-10-14 US disclosed
WO-2020011686-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-01-16 WO 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-11581497-B2 Materials for organic electroluminescent devices OR10J3, EPCAM, L1CAM NPC1 3299/4885KDM4E 2132/4885ALDH1A1 504/4885
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM NPC1 3299/4885KDM4E 2132/4885ALDH1A1 504/4885

“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.