SCHEMBL21296842

SCHEMBL21296842

CC(C)(C)OC(=O)n1nccc1-c1cccc(NC(=O)c2cccc(CN3CCCCC3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.49
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
CHRM3 P20309 1/20 0.46
WNT1 P04628 1/20 0.45
GSK3B P49841 1/20 0.45
DYRK1A Q13627 1/20 0.45
SLC2A1 P11166 1/20 0.45
ACKR3 P25106 8/20 0.44
GAA P10253 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
ABL1 P00519 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL21296840 0.89 ACP1 (0.42) BRAFWNT1GSK3BDYRK1AACKR3
SCHEMBL21296781 0.85 MAPT (0.47) BRAFRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL23610577 0.82 HSD17B1 (0.47) BRAF
SCHEMBL23610573 0.79 SCN3A (0.44) BRAFRAB9ANPC1LMNAMAPT
SCHEMBL23610572 0.79 KMT2A (0.54) BRAFRAB9ANPC1SMN1; SMN2HTT
SCHEMBL21296776 0.76 KMT2A (0.53) RAB9ANPC1SMN1; SMN2HTTLMNA
SCHEMBL21296779 0.75 JAK2 (0.43) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL21296730 0.74 IRAK1 (0.54) RAB9ANPC1SMN1; SMN2HTTLMNA
SCHEMBL21296800 0.73 CNR1 (0.43) BRAFTRPV1
SCHEMBL21296839 0.72 PDK1 (0.48) RAB9ANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530181-B2 IL-6 inhibitors and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-12-20 US disclosed
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2021-07-08 US disclosed
WO-2019165158-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-08-29 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-11530181-B2 IL-6 inhibitors and methods of treatment IL6, IL6ST, IL2 BRAF 1572/4885RAB9A 3065/4885NPC1 1310/4885
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT IL6, IL6ST, IL2 BRAF 1572/4885RAB9A 3065/4885NPC1 1310/4885

“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.