SCHEMBL6131263

SCHEMBL6131263

NC(=O)c1ccc(CNc2ccc(OCCN3CCOCC3)cc2)cc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.54
AURKA O14965 4/20 0.51
RPS6KB1 P23443 3/20 0.51
LTA4H P09960 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HTR1A P08908 2/20 0.50
DRD2 P14416 2/20 0.50
HTR7 P34969 2/20 0.50
HTR6 P50406 2/20 0.50
AURKB Q96GD4 1/20 0.49
EPHX2 P34913 2/20 0.49
KDR P35968 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PPARG P37231 1/20 0.47
PDPK1 O15530 1/20 0.47

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
SCHEMBL6131265 0.77 KDR (0.64) AURKALTA4HAURKBEPHX2KDR
SCHEMBL2697822 0.77 JAK3 (0.63) AURKARPS6KB1LTA4HAURKBEPHX2
SCHEMBL22773342 0.72 THRB (0.56) NPC1RAB9AKDM4EPPARG
SCHEMBL4403211 0.72 STAT6 (0.56) AURKARPS6KB1AURKB
SCHEMBL11898739 0.71 NPC1 (0.97) LTA4HNPC1RAB9AKDR
SCHEMBL10132797 0.71 EPHX2 (0.67) AURKALTA4HNPC1RAB9AAURKB
SCHEMBL12607689 0.70 KDR (0.64) NPC1RAB9AKDRKDM4E
SCHEMBL1395845 0.70 LTA4H (0.61) LTA4HNPC1RAB9AEPHX2KDM4E
SCHEMBL4974321 0.70 EPHX2 (0.70) LTA4HNPC1RAB9AEPHX2KDR
SCHEMBL3007594 0.70 GAA (0.71) LTA4HNPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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 (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-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 FFAR1 4354/4885AURKA 496/4885RPS6KB1 1941/4885

“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.