SCHEMBL19630873

SCHEMBL19630873

N#Cc1ccc(NC(=O)c2cc(Cl)ccc2OC(O)CN)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
TMPRSS4 Q9NRS4 2/20 0.42
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
P2RX1 P51575 1/20 0.40
KCNMA1 Q12791 2/20 0.40
GPR6 P46095 1/20 0.40
KDR P35968 2/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
AURKA O14965 1/20 0.38
PDPK1 O15530 1/20 0.38

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
SCHEMBL17779115 0.81 TMPRSS4 (0.47) PDK1PDK2PDK3PDK4TMPRSS4
SCHEMBL17770420 0.80 TMPRSS4 (0.46) PDK1PDK2PDK3PDK4TMPRSS4
SCHEMBL19630853 0.79 P2RX7 (0.47) TMPRSS4GPR6MEN1KMT2ASMN1; SMN2
SCHEMBL17770334 0.79 TMPRSS4 (0.46) PDK1PDK2PDK3PDK4TMPRSS4
SCHEMBL17770333 0.79 TMPRSS4 (0.46) PDK1PDK2PDK3PDK4TMPRSS4
SCHEMBL17770439 0.77 HDAC1 (0.42) PDK1PDK2PDK3PDK4TMPRSS4
Monoethanolamine SCHEMBL19612175 0.77 TMPRSS4 (0.60) TMPRSS4NPC1ALDH1A1RAB9AKDM4E
SCHEMBL30771735 0.77 TMPRSS4 (0.70) PDK1PDK2PDK3PDK4TMPRSS4
SCHEMBL14885885 0.77 TMPRSS4 (0.70) PDK1PDK2PDK3PDK4TMPRSS4
SCHEMBL17770385 0.76 GPR6 (0.42) PDK1PDK2PDK3PDK4TMPRSS4

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-10227315-B2 Mitochondrial uncouplers for treatment of metabolic diseases and cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-03-12 US disclosed
US-20170334869-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2017-11-23 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-10227315-B2 Mitochondrial uncouplers for treatment of metabolic diseases and cancer AK2, PC, GLS2 PDK1 111/4885PDK2 106/4885PDK3 197/4885
US-20170334869-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER AK2, PC, GLS2 PDK1 87/4885PDK2 100/4885PDK3 156/4885

“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.