SCHEMBL4284770

SCHEMBL4284770

COC(=O)c1cccc(OCC[C@@H]2CN(C(=O)O)CCN2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CCR3 P51677 1/20 0.38
POLB P06746 1/20 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
SCHEMBL4973478 0.90 ADRB1 (0.40) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4283409 0.89 MAOB (0.44) ALDH1A1RAB9AKMT2A
SCHEMBL4285458 0.86 KDM4E (0.41) ALDH1A1KMT2ADRD2DRD3KDM4E
SCHEMBL4284610 0.85 REN (0.44) ALDH1A1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL4282774 0.85 GRM5 (0.37) KDM4E
SCHEMBL3493396 0.83 TEAD1 (0.46) ALDH1A1MAPTRAB9AKMT2AKDM4E
SCHEMBL4289809 0.83 MAPT (0.42) ALDH1A1CYP2C19MAPTRAB9AKMT2A
Hydrochloric Acid SCHEMBL4293711 0.82 PARP1 (0.45) ALDH1A1MAPTRAB9AKMT2AKDM4E
Hydrochloric Acid SCHEMBL4293709 0.82 PARP1 (0.45) ALDH1A1MAPTRAB9AKMT2AKDM4E
SCHEMBL4287310 0.82 TTR (0.37) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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 388/4885CYP1A2 89/4885CYP3A4 50/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885CYP1A2 89/4885CYP3A4 50/4885

“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.