SCHEMBL31428871

SCHEMBL31428871

Cc1cc(-c2cccc3cccnc23)c2cc(C(=O)O)ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.54
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SLC40A1 Q9NP59 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
PDE4A P27815 1/20 0.40
FABP1 P07148 1/20 0.40
MMP1 P03956 1/20 0.40
HTR5A P47898 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
SCHEMBL24975615 1.00 MMP9 (0.54) MMP9HDAC3HDAC1HDAC2HDAC8
SCHEMBL31428952 0.87 MMP9 (0.49) MMP9NPC1RAB9AKDM4EMAPT
SCHEMBL24975797 0.87 MMP9 (0.49) MMP9NPC1RAB9AKDM4EMAPT
SCHEMBL31428520 0.86 MMP9 (0.48) MMP9HDAC3HDAC1HDAC2HDAC8
SCHEMBL31428958 0.83 TDP1 (0.47) NPC1RAB9AKDM4EGAATDP1
SCHEMBL24976051 0.83 TDP1 (0.47) NPC1RAB9AKDM4EGAATDP1
SCHEMBL24975622 0.82 MAPK10 (0.49) MMP9SLC40A1NPC1RAB9AKDM4E
SCHEMBL31428882 0.82 MAPK10 (0.49) MMP9SLC40A1NPC1RAB9AKDM4E
SCHEMBL24975610 0.82 NPC1 (0.48) NPC1RAB9AKDM4EGAATDP1
SCHEMBL31428836 0.82 NPC1 (0.48) NPC1RAB9AKDM4EGAATDP1

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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2025-03-20 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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND BRAF, RAF1, NRAS MMP9 4534/4885HDAC3 2872/4885HDAC1 1396/4885

“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.