SCHEMBL4285501

SCHEMBL4285501

COc1cccc(F)c1OCC[C@@H]1CN(C(=O)O)CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
SCN9A Q15858 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
GAA P10253 1/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 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
SCHEMBL4285547 0.90 KDM4E (0.37) RAB9AALDH1A1MEN1KMT2AKDM4E
SCHEMBL4281106 0.89 BTK (0.39) RAB9AALDH1A1KDM4EGAAGRIN1
SCHEMBL4293729 0.88 MAPK1 (0.41) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL4282070 0.86 NPC1 (0.48) RAB9AALDH1A1MEN1KMT2AKDM4E
SCHEMBL4287638 0.85 LMNA (0.50) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4285550 0.84 MEN1 (0.40) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4284656 0.82 FFAR1 (0.42) ALDH1A1MEN1KMT2AKDM4EFFAR4
SCHEMBL4294041 0.82 HCRTR1 (0.40) ALDH1A1MEN1KMT2AKDM4EFFAR4
SCHEMBL4297224 0.81 SYK (0.42)
Hydrochloric Acid SCHEMBL4290984 0.80 SCN9A (0.38) RAB9AALDH1A1MEN1KMT2AKDM4E

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 1247/4885ALDH1A1 388/4885MEN1 1254/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT RAB9A 1247/4885ALDH1A1 388/4885MEN1 1254/4885

“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.