SCHEMBL21296750

SCHEMBL21296750

O=C(Nc1ccccc1-c1c[nH]c(=O)[nH]1)c1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.53
LTA4H P09960 1/20 0.49
PSMB1 P20618 4/20 0.49
PSMB5 P28074 4/20 0.49
PSMB2 P49721 3/20 0.49
KDM4E B2RXH2 3/20 0.48
KDR P35968 5/20 0.47
FLT3 P36888 3/20 0.47
BRD4 O60885 1/20 0.46
JAK1 P23458 1/20 0.46
HDAC1 Q13547 1/20 0.46
FLT1 P17948 2/20 0.45
AURKA O14965 1/20 0.45
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44

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
SCHEMBL29938397 1.00 MCHR1 (0.53) MCHR1LTA4HPSMB1PSMB5PSMB2
SCHEMBL29937757 0.88 MCHR1 (0.54) MCHR1LTA4HPSMB1PSMB5PSMB2
SCHEMBL21296735 0.88 MCHR1 (0.54) MCHR1LTA4HPSMB1PSMB5PSMB2
SCHEMBL29937831 0.85 MCHR1 (0.55) MCHR1LTA4HPSMB1PSMB5PSMB2
SCHEMBL21296737 0.83 MCHR1 (0.55) MCHR1LTA4HPSMB1PSMB5PSMB2
SCHEMBL21296819 0.82 MCHR1 (0.54) MCHR1LTA4HPSMB1PSMB5PSMB2
SCHEMBL21296788 0.82 FLT3 (0.54) MCHR1LTA4HPSMB1PSMB5PSMB2
SCHEMBL21296793 0.82 KDR (0.54) MCHR1LTA4HPSMB1PSMB5PSMB2
SCHEMBL21296824 0.82 KDR (0.58) MCHR1LTA4HPSMB1PSMB5PSMB2
SCHEMBL21296753 0.81 MCHR1 (0.51) MCHR1LTA4HPSMB1PSMB5PSMB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246943-A1 MULTIFACETED APPROACH TO NOVEL INTERLEUKIN-6 INHIBITORS University of Florida Research Fooundation, Incorporated (US) 2024-07-25 US disclosed
US-11530181-B2 IL-6 inhibitors and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-12-20 US disclosed
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
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
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 (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-11530181-B2 IL-6 inhibitors and methods of treatment IL6, IL6ST, IL2 MCHR1 1328/4885LTA4H 269/4885PSMB1 4575/4885
US-20240246943-A1 MULTIFACETED APPROACH TO NOVEL INTERLEUKIN-6 INHIBITORS IL6, IL6ST, IL36G MCHR1 2394/4885LTA4H 473/4885PSMB1 3699/4885
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT IL6, IL6ST, IL2 MCHR1 1328/4885LTA4H 269/4885PSMB1 4575/4885

“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.