SCHEMBL4291053

SCHEMBL4291053

N#Cc1ccccc1NCC[C@@H]1CN(C(=O)O)CCN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2D6 P10635 1/20 0.38
OPRK1 P41145 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA4 P22748 4/20 0.36
CA9 Q16790 4/20 0.36

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
SCHEMBL4289461 0.83 EBP (0.40) HPGDTSHRKMT2ATAS1R3TAS1R1
SCHEMBL4750102 0.83 MAPT (0.41) KMT2AMEN1MAPTGAACA1
SCHEMBL4291328 0.83 CA1 (0.38) KDM4ETSHRKMT2AMEN1ALDH1A1
SCHEMBL4294740 0.81 MAN1B1 (0.43) POLBGAACA1CA2CA4
SCHEMBL4281787 0.80 MEN1 (0.41) KDM4ETSHRKMT2AMEN1ALDH1A1
SCHEMBL4289734 0.80 MAPT (0.43) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL4289730 0.80 MAPT (0.43) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL4288669 0.76 TP53 (0.48) HPGDTSHRKMT2AMEN1ALDH1A1
SCHEMBL4281693 0.75 CCR3 (0.39) KDM4EHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL4290915 0.73 KMT2A (0.41) KMT2AMEN1ALDH1A1POLBMAPT

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 KDM4E 760/4885HPGD 106/4885TSHR 3226/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KDM4E 760/4885HPGD 106/4885TSHR 3226/4885

“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.