SCHEMBL4294945

SCHEMBL4294945

Cc1nc2ccc(NCC[C@@H]3CN(C(=O)O)CCN3C(=O)O)cc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.39
MGLL Q99685 1/20 0.39
CHRNA7 P36544 1/20 0.38
TP53 P04637 2/20 0.38
TAS1R3 Q7RTX0 3/20 0.37
TAS1R1 Q7RTX1 3/20 0.37
F10 P00742 1/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
CYP1A2 P05177 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
SCHEMBL4291179 0.92 KDM4E (0.44) SMN1; SMN2POLBALDH1A1CHRNA7TP53
SCHEMBL4293422 0.82 SMN1; SMN2 (0.43) SMN1; SMN2POLBALDH1A1MGLLCHRNA7
Hydrochloric Acid SCHEMBL4289031 0.81 SMN1; SMN2 (0.43) SMN1; SMN2POLBALDH1A1MGLLCHRNA7
SCHEMBL4290709 0.81 GAA (0.42) TP53GAAKMT2A
SCHEMBL4289498 0.81 TLR7 (0.39) MGLLCHRNA7TAS1R3TAS1R1HCRTR2
SCHEMBL4282201 0.75 MAN1B1 (0.38) SMN1; SMN2ALDH1A1TP53GAAGFER
SCHEMBL4282219 0.75 RAB9A (0.38) SMN1; SMN2POLBCHRNA7GAAKDM4E
SCHEMBL4292964 0.75 MAPT (0.45) SMN1; SMN2POLBALDH1A1GFERKDM4E
SCHEMBL4285411 0.74 ROCK2 (0.46) POLBCYP3A4
SCHEMBL4287230 0.74 RAB9A (0.42) SMN1; SMN2POLBALDH1A1CHRNA7TP53

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 SMN1; SMN2 4811/4885POLB 3799/4885ALDH1A1 388/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SMN1; SMN2 4811/4885POLB 3799/4885ALDH1A1 388/4885

“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.