Sugi Predict

Sugi Predict / Compounds / SCHEMBL4289778

SCHEMBL4289778

SCHEMBL4289778

O=C(c1ncn(CC2(O)CCCCC2)c1-c1ccccc1)N1CCNC[C@H]1Cc1nnc(-c2ccccc2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 2/20 0.42
▸ HCRTR2 O43614 2/20 0.42
▸ TSPO P30536 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.42
▸ USP19 O94966 10/20 0.38
▸ RAB9A P51151 4/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ ATM Q13315 1/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA4 P22748 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ USP7 Q93009 1/20 0.33

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
SCHEMBL4283241 0.87 CA1 (0.45) USP19CA1CA2CA4CA9
SCHEMBL4284658 0.84 KCNH2 (0.42) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL4290296 0.81 HCRTR2 (0.41) HCRTR1HCRTR2TSPOOPRK1HTR2B
Hydrochloric Acid SCHEMBL4292771 0.81 HCRTR2 (0.42) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL4281300 0.81 USP19 (0.39) USP19USP7
Hydrochloric Acid SCHEMBL4294708 0.81 USP19 (0.40) HCRTR1HCRTR2USP19
SCHEMBL4291233 0.80 HCRTR2 (0.41) HCRTR1HCRTR2TSPOOPRK1HTR2B
Hydrochloric Acid SCHEMBL4282118 0.79 HCRTR2 (0.41) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL4983388 0.79 CA1 (0.43) USP19KMT2AMEN1ALDH1A1CA1
SCHEMBL4285611 0.79 HCRTR2 (0.40) HCRTR1HCRTR2TSPOOPRK1HTR2B

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-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
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 — — WO 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 HCRTR1 3147/4885HCRTR2 3136/4885TSPO 2092/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885TSPO 2092/4885

“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.