SCHEMBL13020045

SCHEMBL13020045

CCn1cc(-c2ccc(Cl)cc2)c2c(N(C)C(C)=O)ncnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ADK P55263 1/20 0.40
FLT3 P36888 2/20 0.39
SRC P12931 3/20 0.39
LCK P06239 1/20 0.39
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 3/20 0.36
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
BTK Q06187 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL3788058 0.90 KDM4E (0.54) KDM4EALDH1A1HTTLMNANPSR1
SCHEMBL3789169 0.79 KDM4E (0.54) KDM4EALDH1A1HTTLMNAADK
SCHEMBL3662271 0.76 SRC (0.64) FLT3SRCLCKKDRTEK
SCHEMBL13020030 0.76 ADK (0.52) KDM4EALDH1A1HTTLMNAADK
SCHEMBL13020121 0.74 ADK (0.49) KDM4EALDH1A1HTTLMNANPSR1
SCHEMBL13020106 0.74 ADK (0.49) KDM4EALDH1A1HTTLMNAADK
SCHEMBL13020031 0.72 ADK (0.54) KDM4EALDH1A1HTTLMNAADK
SCHEMBL13020113 0.72 ADK (0.47) KDM4EALDH1A1HTTLMNAADK
SCHEMBL3784312 0.72 CA12 (0.47) ALDH1A1LMNAADKSRCLCK
SCHEMBL13020080 0.72 ADK (0.47) KDM4EALDH1A1HTTLMNAADK

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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B KDM4E 4425/4885ALDH1A1 3475/4885HTT 187/4885

“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.