SCHEMBL4287630

SCHEMBL4287630

COC(=O)c1ccc(Cl)c(NCC[C@@H]2CN(C(=O)O)CCN2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
TSHR P16473 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
XIAP P98170 1/20 0.37
BIRC2 Q13490 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
WDR5 P61964 1/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4282105 0.83 POLB (0.48) ALDH1A1KMT2AMEN1MAPTCA1
SCHEMBL4750110 0.82 HTR7 (0.48) ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL4284056 0.82 HTR7 (0.48) ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL4285817 0.81 ALDH1A1 (0.45) ALDH1A1TSHRKMT2AMEN1MAPT
SCHEMBL4289461 0.81 EBP (0.40) TSHRKMT2AMAPTCA1CA2
SCHEMBL4290915 0.78 KMT2A (0.41) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL4289809 0.75 MAPT (0.42) ALDH1A1KMT2AMAPTL3MBTL1XIAP
SCHEMBL4750102 0.75 MAPT (0.41) KMT2AMEN1MAPTCA1CA2
SCHEMBL4284858 0.75 CA1 (0.42) ALDH1A1MAPTNPSR1L3MBTL1CA1
SCHEMBL4287310 0.74 TTR (0.37) ALDH1A1KMT2AMEN1MAPTXIAP

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 ALDH1A1 388/4885TSHR 3226/4885KMT2A 1049/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885TSHR 3226/4885KMT2A 1049/4885

“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.