SCHEMBL29938178

SCHEMBL29938178

O=C(Nc1cc(F)ccc1I)c1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.59
PSMB1 P20618 4/20 0.56
PSMB5 P28074 4/20 0.56
PSMB2 P49721 2/20 0.56
KDM4E B2RXH2 2/20 0.52
MCHR1 Q99705 3/20 0.52
LTA4H P09960 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
KDR P35968 2/20 0.50
FLT3 P36888 1/20 0.49
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48

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
SCHEMBL21296757 0.85 HRH3 (0.57) HRH3PSMB1PSMB5PSMB2KDM4E
SCHEMBL29937951 0.82 HRH3 (0.61) HRH3KDM4ERXFP1
SCHEMBL21296764 0.80 HRH3 (0.58) HRH3KDM4ERXFP1
SCHEMBL24213904 0.79 PSMB1 (0.51) HRH3PSMB1PSMB5PSMB2KDM4E
SCHEMBL29937768 0.77 PSMB1 (0.60) HRH3PSMB1PSMB5PSMB2KDM4E
SCHEMBL29938135 0.77 NPC1 (0.49) HRH3PSMB1PSMB5MCHR1LTA4H
SCHEMBL21296793 0.76 KDR (0.54) HRH3PSMB1PSMB5PSMB2KDM4E
SCHEMBL22067152 0.75 PSMB1 (0.72) HRH3PSMB1PSMB5PSMB2KDM4E
SCHEMBL29066028 0.75 MCHR1 (0.56) PSMB1PSMB5PSMB2KDM4EMCHR1
SCHEMBL29066027 0.74 MCHR1 (0.58) HRH3PSMB1PSMB5PSMB2KDM4E

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 2 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
WO-2022226133-A1 MULTIFACETED APPROACH TO NOVEL INTERLEUKIN-6 INHIBITORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-10-27 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 (1 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-20240246943-A1 MULTIFACETED APPROACH TO NOVEL INTERLEUKIN-6 INHIBITORS IL6, IL6ST, IL36G HRH3 3168/4885PSMB1 3699/4885PSMB5 3347/4885

“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.