SCHEMBL19794447

SCHEMBL19794447

c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)cc(-c4ccccc4-c4cnc5c(c4)ncc4ccccc45)c3)cn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
TLR9 Q9NR96 1/20 0.38
HDAC6 Q9UBN7 2/20 0.37
PDGFRB P09619 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GPR3 P46089 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
DHODH Q02127 2/20 0.35
LDHA P00338 1/20 0.35
HPGDS O60760 1/20 0.35
PDGFRA P16234 1/20 0.35
HSD17B1 P14061 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
SCHEMBL18015696 0.85 KDM4E (0.43) NPC1CYP11B1CYP11B2IDO1TDO2
SCHEMBL19933641 0.82 KDM4E (0.39) CYP11B1CYP11B2IDO1TDO2PDGFRB
SCHEMBL18015574 0.79 LDHA (0.52) CYP11B1CYP11B2IDO1TDO2LDHA
SCHEMBL19933578 0.79 LDHA (0.52) CYP11B1CYP11B2IDO1TDO2LDHA
SCHEMBL18015495 0.78 LDHA (0.50) NPC1CYP11B1CYP11B2IDO1TDO2
SCHEMBL19794370 0.78 LDHA (0.50) NPC1CYP11B1CYP11B2IDO1TDO2
SCHEMBL21721920 0.78 LDHA (0.50) CYP11B1CYP11B2IDO1TDO2DHODH
SCHEMBL19794431 0.78 LDHA (0.50) NPC1CYP11B1CYP11B2IDO1TDO2
SCHEMBL18015584 0.77 KDM4E (0.65) NPC1IDO1TDO2SMN1; SMN2RAB9A
SCHEMBL21125581 0.77 MEN1 (0.49) NPC1HDAC6SMN1; SMN2RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601257-B1 AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2021-10-27 EP disclosed
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
US-20200039903-A1 AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2020-02-06 US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 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 (3 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-20200039903-A1 AROMATIC COMPOUNDS PAH, ALG3, DDC NPC1 3324/4885CYP11B1 1980/4885CYP11B2 1248/4885
US-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC NPC1 4039/4885CYP11B1 3601/4885CYP11B2 3300/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 NPC1 2761/4885CYP11B1 2170/4885CYP11B2 1585/4885

“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.