SCHEMBL4285817

SCHEMBL4285817

COC(=O)c1ccc(Cl)c(NCC[C@@H]2CN(C(=O)O)CCN2C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.41
OPRK1 P41145 6/20 0.39
NPSR1 Q6W5P4 2/20 0.39
OPRM1 P35372 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
OPRD1 P41143 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
BLM P54132 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 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
SCHEMBL4287630 0.81 ALDH1A1 (0.44) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL4281547 0.77 KMT2A (0.41) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL4284676 0.75 MAPT (0.43) ALDH1A1TSHRKMT2AMAPTTDP1
SCHEMBL4281655 0.75 KDM4E (0.52) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL4292964 0.74 MAPT (0.45) ALDH1A1KMT2AMAPTNPSR1L3MBTL1
SCHEMBL4290602 0.74 HCRTR1 (0.39) ALDH1A1KMT2AMAPTCYP3A4CYP2C9
SCHEMBL4286140 0.73 HCRTR1 (0.44) ALDH1A1KMT2AMAPTCYP3A4CYP2D6
SCHEMBL4293573 0.73 SMN1; SMN2 (0.37) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL4282201 0.72 MAN1B1 (0.38) ALDH1A1MAPTNPSR1MAPK1GAA
SCHEMBL23121876 0.72 TDP1 (0.68) ALDH1A1TSHRMEN1KMT2AMAPT

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 3226/4885MEN1 1254/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885TSHR 3226/4885MEN1 1254/4885

“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.