SCHEMBL4287230

SCHEMBL4287230

Cc1nc2cc(NCC[C@@H]3CN(C(=O)O)CCN3)ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.42
NPC1 O15118 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
STAT1 P42224 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
EPHX2 P34913 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
TP53 P04637 2/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 2/20 0.38

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
SCHEMBL4293422 0.93 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL4289031 0.92 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EMAPTMEN1KMT2A
SCHEMBL4285598 0.89 GAA (0.41) RAB9ANPC1GAA
SCHEMBL4291179 0.82 KDM4E (0.44) RAB9ANPC1SMN1; SMN2STAT1L3MBTL1
SCHEMBL4294076 0.81 SIGMAR1 (0.39) RAB9AKDM4EHSD17B10HPGDLMNA
SCHEMBL4285461 0.80 GAA (0.43) RAB9ANPC1GAA
SCHEMBL4751937 0.79 SMN1; SMN2 (0.48) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL4294740 0.76 MAN1B1 (0.43) POLBGAAPKM
SCHEMBL4290607 0.76 ROCK2 (0.45) RAB9ANPC1POLB
SCHEMBL4285108 0.76 SIGMAR1 (0.39) CHRNA7

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 RAB9A 1247/4885NPC1 1165/4885SMN1; SMN2 4811/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT RAB9A 1247/4885NPC1 1165/4885SMN1; SMN2 4811/4885

“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.