SCHEMBL14224538

SCHEMBL14224538

COc1cc(Cl)ccc1C(=O)Nc1cc(C(=O)O)n(CCCN(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.45
GPR27 Q9NS67 1/20 0.45
MCHR1 Q99705 4/20 0.44
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
AHR P35869 1/20 0.41
LMNA P02545 1/20 0.41
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
KCNMA1 Q12791 1/20 0.40
NR3C1 P04150 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CLK1 P49759 2/20 0.39

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
SCHEMBL14224536 0.89 MCHR1 (0.44) MCHR1MAPTALDH1A1KDRSMN1; SMN2
SCHEMBL14224539 0.78 NPC1 (0.43) MAPTALDH1A1NPSR1NPC1POLB
SCHEMBL14427753 0.77 SMN1; SMN2 (0.41) GPR27MAPTALDH1A1GAAHTT
SCHEMBL14224681 0.74 CYP11B2 (0.46) GPR27ALDH1A1GAANPC1POLB
SCHEMBL14427754 0.69 L3MBTL1 (0.42) MAPTALDH1A1NPC1LMNASMN1; SMN2
SCHEMBL7179615 0.68 GRM5 (0.63) AVPR2GPR27MAPTALDH1A1NPC1
SCHEMBL14455744 0.68 TOP1 (0.42)
SCHEMBL5656659 0.67 AVPR2 (0.56) AVPR2GPR27MAPTALDH1A1GAA
SCHEMBL14099810 0.67 CYP11B2 (0.45) GPR27ALDH1A1GAANPC1POLB
SCHEMBL17152783 0.67 CLK1 (0.50) AVPR2GPR27ALDH1A1NPC1LMNA

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-20080090816-A1 ANTI-INFECTIVE BIARYL COMPOUNDS GENESOFT PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-7265129-B2 Anti-infective biaryl compounds GENESOFT PHARMACEUTICALS, INC. (US) 2007-09-04 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-20080090816-A1 ANTI-INFECTIVE BIARYL COMPOUNDS QTRT1, Q6ZSR9, QTRT2 AVPR2 3482/4885GPR27 2036/4885MCHR1 2722/4885

“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.