SCHEMBL4293498

SCHEMBL4293498

Cc1nc2cc(OCC[C@@H]3CN(C(=O)O)CCN3)ccc2n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 3/20 0.39
GLA P06280 1/20 0.39
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
SCN9A Q15858 6/20 0.36
ACSL1 P33121 2/20 0.35
TP53 P04637 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
P2RY12 Q9H244 2/20 0.35
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 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 SCHEMBL4285616 0.99 MAPT (0.47) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL4291204 0.82 MAPT (0.48) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL4283989 0.81 CYP3A4 (0.40) RAB9ASMN1; SMN2NPC1
SCHEMBL4294076 0.81 SIGMAR1 (0.39) RAB9AKDM4EHSD17B10SCN9ASCN10A
SCHEMBL4752778 0.81 RAB9A (0.44) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL4281703 0.81 RAB9A (0.44) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL4289860 0.80 GAA (0.41) RAB9ANPC1SCN9AACSL1SCN10A
SCHEMBL4282373 0.79 L3MBTL1 (0.47) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4751897 0.79 L3MBTL1 (0.47) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4285108 0.79 SIGMAR1 (0.39) SCN9ASCN10A

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 MAPT 3142/4885MEN1 1254/4885KMT2A 1049/4885

“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.