SCHEMBL4293422

SCHEMBL4293422

Cc1nc2ccc(NCC[C@@H]3CN(C(=O)O)CCN3)cc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
MGLL Q99685 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CHRNA7 P36544 1/20 0.38
TAS1R3 Q7RTX0 3/20 0.37
TAS1R1 Q7RTX1 3/20 0.37
F10 P00742 1/20 0.37
GAA P10253 2/20 0.36
HTR2C P28335 3/20 0.36
HTR2B P41595 2/20 0.36
MEN1 O00255 2/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
ADORA2A P29274 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 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
Hydrochloric Acid SCHEMBL4289031 0.99 SMN1; SMN2 (0.43) SMN1; SMN2POLBMGLLALDH1A1CHRNA7
SCHEMBL4287230 0.93 RAB9A (0.42) SMN1; SMN2POLBALDH1A1CHRNA7TAS1R3
SCHEMBL4294945 0.82 SMN1; SMN2 (0.44) SMN1; SMN2POLBMGLLALDH1A1CHRNA7
SCHEMBL4285598 0.81 GAA (0.41) GAA
SCHEMBL4285108 0.81 SIGMAR1 (0.39) MGLLCHRNA7
SCHEMBL4751937 0.81 SMN1; SMN2 (0.48) SMN1; SMN2POLBALDH1A1GAAMEN1
SCHEMBL4294740 0.76 MAN1B1 (0.43) POLBGAA
SCHEMBL4290607 0.76 ROCK2 (0.45) POLBCYP3A4
SCHEMBL4294076 0.76 SIGMAR1 (0.39) KDM4E
SCHEMBL4284858 0.75 CA1 (0.42) SMN1; SMN2POLBALDH1A1MAPT

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SMN1; SMN2 4811/4885POLB 3799/4885MGLL 2197/4885

“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.