SCHEMBL4290709

SCHEMBL4290709

CCc1nc2cc(NCC[C@@H]3CN(C(=O)O)CCN3C(=O)O)ccc2o1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
KCNH2 Q12809 1/20 0.38
MCHR2 Q969V1 1/20 0.38
MCHR1 Q99705 1/20 0.38
NPC1 O15118 10/20 0.37
RAB9A P51151 11/20 0.37
TP53 P04637 1/20 0.35
KMT2A Q03164 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
SCHEMBL4291179 0.89 KDM4E (0.44) GAANPC1RAB9ATP53KMT2A
SCHEMBL4285598 0.83 GAA (0.41) GAAKCNH2MCHR2MCHR1NPC1
SCHEMBL4285430 0.81 GAA (0.42) GAANPC1RAB9A
SCHEMBL4294945 0.81 SMN1; SMN2 (0.44) GAATP53KMT2A
SCHEMBL4285461 0.77 GAA (0.43) GAAKCNH2MCHR2MCHR1NPC1
SCHEMBL4285120 0.76 NPC1 (0.39) GAAKCNH2NPC1RAB9AKMT2A
SCHEMBL4282201 0.74 MAN1B1 (0.38) GAANPC1RAB9ATP53
SCHEMBL4292964 0.73 MAPT (0.45) NPC1RAB9AKMT2A
SCHEMBL4285411 0.73 ROCK2 (0.46)
SCHEMBL4295533 0.72 ATM (0.43) NPC1RAB9ATP53KMT2A

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 GAA 1381/4885KCNH2 664/4885MCHR2 3777/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT GAA 1381/4885KCNH2 664/4885MCHR2 3777/4885

“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.