SCHEMBL1147835

SCHEMBL1147835

CC(C)N(CCCCC(=O)CCCCN(C(C)C)C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
EPHX2 P34913 1/20 0.33
KDM4C Q9H3R0 2/20 0.32
KDM4A O75164 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL1147837 0.93 KMT2A (0.40) KMT2AMEN1MAPTTHRATHRB
SCHEMBL27932596 0.82 TSHR (0.52) KMT2AMEN1EPHX2
SCHEMBL260594 0.80 THRA (0.36) KMT2AMEN1THRATHRBEPHX2
SCHEMBL1314528 0.79 MEN1 (0.56) KMT2AMEN1
SCHEMBL637535 0.77 TBXAS1 (0.35) KMT2AMEN1THRATHRBEPHX2
SCHEMBL27793019 0.77 CTSD (0.43) KMT2AMEN1THRATHRBPHF8
SCHEMBL4928619 0.76 LMNA (0.46) KMT2AMEN1
SCHEMBL4937002 0.76 MEN1 (0.39) KMT2AMEN1THRATHRBCHRM2
SCHEMBL11037303 0.76 KMT2A (0.39) KMT2AMEN1THRATHRBCHRM2
SCHEMBL20409249 0.76 FAAH (0.39) KMT2AMEN1THRATHRBKDM4C

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-20110045100-A1 Antimalarial Quinolines and Methods of Use Thereof GEORGETOWN UNIVERSITY (US) 2011-02-24 US disclosed
WO-2009148659-A2 ANTIMALARIAL QUINOLINES AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2009-12-10 WO 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-20110045100-A1 Antimalarial Quinolines and Methods of Use Thereof NQO2, QTRT1, QTRT2 KMT2A 1241/4885MEN1 2988/4885MAPT 2777/4885

“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.