SCHEMBL16077679

SCHEMBL16077679

COc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
HTT P42858 4/20 0.60
KDM4E B2RXH2 2/20 0.60
MITF O75030 1/20 0.60
KMT2A Q03164 1/20 0.60
KLF5 Q13887 1/20 0.60
PSMD14 O00487 1/20 0.59
POLB P06746 1/20 0.59
GCGR P47871 2/20 0.59
LMNA P02545 2/20 0.56
PTBP1 P26599 1/20 0.55
RECQL P46063 1/20 0.55

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
SCHEMBL14906898 0.91 GCGR (0.62) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL14907020 0.91 GCGR (0.67) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL14907121 0.88 GCGR (0.64) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL12387802 0.87 KMT2A (0.76) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL14906908 0.86 GCGR (0.64) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL684498 0.86 KDM4E (0.63) MAPTNPC1RAB9AHTTKDM4E
SCHEMBL8298504 0.85 KMT2A (0.64) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL14906901 0.82 GCGR (0.67) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL13561183 0.82 MAPT (0.69) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL12387732 0.81 MAPT (0.75) MAPTNPC1RAB9ASMN1; SMN2HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 US disclosed
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 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-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS ALDOA, DERA, TALDO1 MAPT 578/4885NPC1 678/4885RAB9A 2307/4885

“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.