SCHEMBL4289734

SCHEMBL4289734

O=C(O)N1CCN[C@H](CCNc2ccccc2[N+](=O)[O-])C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KAT2B Q92831 2/20 0.43
HTR6 P50406 2/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL4289730 1.00 MAPT (0.43) MAPTNPC1RAB9ASMN1; SMN2KAT2B
SCHEMBL4750102 0.82 MAPT (0.41) MAPTHTTKMT2AMEN1GAA
SCHEMBL4291328 0.82 CA1 (0.38) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL4289461 0.82 EBP (0.40) MAPTKMT2AGAA
SCHEMBL4294740 0.81 MAN1B1 (0.43) GAAPKM
SCHEMBL4291053 0.80 KDM4E (0.39) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL4281787 0.80 MEN1 (0.41) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL11909292 0.74 HTT (0.49) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL11909294 0.74 HTT (0.49) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL4281693 0.74 CCR3 (0.39) RAB9ASMN1; SMN2ALDH1A1KMT2AMEN1

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT MAPT 3142/4885NPC1 1165/4885RAB9A 1247/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT MAPT 3142/4885NPC1 1165/4885RAB9A 1247/4885

“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.