SCHEMBL2858634

SCHEMBL2858634

O=C(Nc1cccnc1)C(Cl)(Cl)Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.59
NPC1 O15118 4/20 0.59
PKM P14618 1/20 0.59
LMNA P02545 2/20 0.57
HIF1A Q16665 1/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NAMPT P43490 2/20 0.56
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.55
CYP11B2 P19099 2/20 0.55
CYP11B1 P15538 1/20 0.55
HTT P42858 2/20 0.54
HPGD P15428 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL391683 0.82 RAB9A (0.78) RAB9ANPC1PKMLMNAHIF1A
SCHEMBL22920041 0.82 L3MBTL1 (0.60) RAB9ANPC1PKMLMNAHIF1A
SCHEMBL10397597 0.79 RAB9A (0.65) RAB9ANPC1PKMLMNAHIF1A
SCHEMBL30566544 0.79 RAB9A (0.65) RAB9ANPC1PKMLMNAHIF1A
SCHEMBL30051982 0.79 MEN1 (0.77) RAB9ANPC1PKMLMNAHIF1A
SCHEMBL9637653 0.79 MEN1 (0.77) RAB9ANPC1PKMLMNAHIF1A
SCHEMBL30504811 0.79 RAB9A (0.89) RAB9ANPC1PKMLMNAHIF1A
SCHEMBL967245 0.77 RAB9A (0.72) RAB9ANPC1PKMLMNAHIF1A
SCHEMBL11213715 0.77 RAB9A (0.72) RAB9ANPC1PKMLMNAHIF1A
SCHEMBL6062650 0.77 RAB9A (0.67) RAB9ANPC1PKMLMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
EP-1661898-A1 BICYCLIC PIPERAZINE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-31 EP 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-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 RAB9A 4301/4885NPC1 1081/4885PKM 4094/4885

“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.