SCHEMBL4282069

SCHEMBL4282069

COc1cccc(OCC[C@@H]2CN(C(=O)O)CCN2)c1OC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
TP53 P04637 1/20 0.39
SCN9A Q15858 2/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
REN P00797 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL4753485 0.89 MEN1 (0.38) SCN9ALMNARENMEN1KMT2A
SCHEMBL4292768 0.89 MEN1 (0.38) SCN9ALMNARENMEN1KMT2A
SCHEMBL4752929 0.89 CCR3 (0.39) SCN9ALMNAREN
SCHEMBL4290277 0.89 CCR3 (0.39) SCN9ALMNAREN
Hydrochloric Acid SCHEMBL4289621 0.89 LMNA (0.48) ALDH1A1KDM4ELMNATSHRMEN1
Hydrochloric Acid SCHEMBL4290984 0.88 SCN9A (0.38) ALDH1A1SCN9AKDM4ERENMEN1
SCHEMBL4290889 0.83 KDM4E (0.43) ALDH1A1KDM4ERENMEN1KMT2A
Hydrochloric Acid SCHEMBL4290963 0.82 KDM4E (0.43) ALDH1A1TP53KDM4ERENMEN1
Hydrochloric Acid SCHEMBL4290259 0.82 HTR2C (0.40) LMNAKMT2A
Hydrochloric Acid SCHEMBL4292929 0.82 HPGD (0.38) KMT2A

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 ALDH1A1 388/4885TP53 2535/4885SCN9A 1866/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885TP53 2535/4885SCN9A 1866/4885

“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.