Sugi Predict

Sugi Predict / Compounds / SCHEMBL4284658

SCHEMBL4284658

SCHEMBL4284658

O=C(c1ncn(CC2(O)CCCCC2)c1-c1ccccc1)N1CCN(Cc2ccccc2)C[C@H]1Cc1nnc(-c2ccccc2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ HCRTR1 O43613 2/20 0.39
▸ HCRTR2 O43614 2/20 0.39
▸ TSPO P30536 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA4 P22748 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ MCHR1 Q99705 6/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ ATM Q13315 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 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
SCHEMBL4289778 0.84 HCRTR1 (0.42) ALDH1A1HCRTR1HCRTR2TSPOOPRK1
SCHEMBL4290397 0.79 CA1 (0.40) CA1CA2CA4CA9
SCHEMBL4289825 0.77 KCNH2 (0.60) KCNH2ALDH1A1POLBHCRTR1HCRTR2
SCHEMBL3492365 0.77 CHRM2 (0.39) CA1CA2CA4CA9
SCHEMBL3493573 0.76 CYP3A4 (0.39) ALDH1A1CA1CA2CA4CA9
SCHEMBL4985144 0.75 CA1 (0.51) CA1CA2CA4CA9PKM
SCHEMBL4283986 0.74 ALDH1A1 (0.34) ALDH1A1OPRK1CA1CA2CA4
SCHEMBL4283241 0.74 CA1 (0.45) CA1CA2CA4CA9
SCHEMBL4291165 0.74 KCNH2 (0.36) KCNH2KMT2AMEN1MCHR1BCHE
SCHEMBL3493203 0.73 CA1 (0.45) CA1CA2CA4CA9

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 5 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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US disclosed
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
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 KCNH2 664/4885ALDH1A1 388/4885POLB 3799/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KCNH2 664/4885ALDH1A1 388/4885POLB 3799/4885

“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.