SCHEMBL23938199

SCHEMBL23938199

Clc1cccc(CNc2ccccn2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.69
FABP1 P07148 1/20 0.67
FABP6 P51161 1/20 0.67
CXCR4 P61073 1/20 0.64
POLB P06746 1/20 0.58
GAA P10253 2/20 0.54
GRM4 Q14833 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
HIF1A Q16665 1/20 0.51
MAP4K4 O95819 1/20 0.50
NOS1 P29475 1/20 0.49
IGF1R P08069 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
APP P05067 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
SCHEMBL29580199 1.00 KDM4E (0.69) KDM4EFABP1FABP6CXCR4POLB
SCHEMBL10054969 0.88 FABP1 (0.79) KDM4EFABP1FABP6CXCR4POLB
SCHEMBL29580040 0.81 KDM4E (1.00) KDM4EFABP1FABP6CXCR4POLB
SCHEMBL14980562 0.81 KDM4E (1.00) KDM4EFABP1FABP6CXCR4POLB
SCHEMBL3956255 0.81 ALDH1A1 (0.68) KDM4EPOLBGRM4NPC1MAP4K4
SCHEMBL2230559 0.81 FABP1 (1.00) KDM4EFABP1FABP6CXCR4POLB
SCHEMBL29664808 0.81 FABP1 (1.00) KDM4EFABP1FABP6CXCR4POLB
SCHEMBL11573094 0.81 FABP1 (0.67) KDM4EFABP1FABP6CXCR4GAA
SCHEMBL4718827 0.81 FABP1 (0.67) KDM4EFABP1FABP6CXCR4POLB
SCHEMBL6301782 0.81 FABP1 (0.67) KDM4EFABP1FABP6CXCR4POLB

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-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors VALO HEALTH, INC. (US) 2022-12-13 US disclosed
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS VALO EARLY DISCOVERY, INC. 2021-10-21 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 (2 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-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 KDM4E 403/4885FABP1 3458/4885FABP6 3741/4885
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS USP28, USP25, USP24 KDM4E 403/4885FABP1 3458/4885FABP6 3741/4885

“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.