SCHEMBL7916646

SCHEMBL7916646

COc1ncccc1-c1cccc2ccc(C(=O)O)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.48
HDAC6 Q9UBN7 2/20 0.45
PDE10A Q9Y233 2/20 0.43
KDM4E B2RXH2 1/20 0.42
PLA2G2D Q9UNK4 2/20 0.42
BTK Q06187 1/20 0.42
EIF4E P06730 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
PLAU P00749 1/20 0.41
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
GPBAR1 Q8TDU6 2/20 0.39
PPARG P37231 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL16502454 0.89 HTT (0.54) DHODHHDAC6PDE10AKDM4EBTK
SCHEMBL7916645 0.84 HDAC6 (0.42) DHODHHDAC6PDE10ABTKHDAC3
SCHEMBL7921982 0.83 HTR5A (0.45) DHODHHDAC6PDE10A
SCHEMBL16509471 0.83 EIF4E (0.46) DHODHHDAC6PDE10AKDM4EBTK
SCHEMBL7918714 0.82 MEN1 (0.42) PDE10AKDM4EPLA2G2DPLAUHTT
SCHEMBL16502608 0.81 SLC40A1 (0.50) HDAC6KDM4EPLA2G2DHDAC3HDAC1
SCHEMBL7916765 0.80 PLA2G2D (0.48) DHODHKDM4EPLA2G2DPLAUHTT
SCHEMBL16502462 0.80 DHODH (0.45) DHODHPLA2G2DPLAUSLC40A1PTPN1
SCHEMBL16502597 0.80 CYP3A4 (0.45) HDAC6PDE10APLA2G2DPLAUSLC40A1
SCHEMBL2772323 0.80 DHODH (0.46) DHODHHDAC6PDE10AKDM4EBTK

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-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
US-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
WO-2010090304-A1 ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-12 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-20110306621-A1 ACYLGUANIDINE DERIVATIVES HTR5A, HTR2A, HTR1A DHODH 1737/4885HDAC6 258/4885PDE10A 281/4885

“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.