SCHEMBL5531313

SCHEMBL5531313

COC(=O)c1cc(=O)c(OCc2ccccc2)c2n1CCN(Cc1ccc(F)c(Cl)c1)C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 4/20 0.37
PKM P14618 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
CLPP Q16740 2/20 0.37
DRD4 P21917 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35
NPC1 O15118 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
SCHEMBL16185297 0.85 SCD (0.39) SCDMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL16180401 0.84 SCD (0.39) SCDSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL4328119 0.83 CCR2 (0.41) SCDKCNH2
SCHEMBL16185296 0.81 SCD (0.37) SCDMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4327909 0.81 LIPG (0.37) SCDDRD4NPSR1KCNH2
SCHEMBL16185202 0.81 SCD (0.39) SCDSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL16185301 0.79 SCD (0.39) SCDSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL16185235 0.79 KCNH2 (0.39) SCDSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL16180509 0.79 SCD (0.39) SCDSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL17537030 0.78 SCD (0.38) SCDSMN1; SMN2LMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 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-20070161639-A1 Hiv integrase inhibitors DPYD, DUT, TYMP SCD 1776/4885MEN1 4138/4885KMT2A 552/4885

“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.