Sugi Predict

Sugi Predict / Compounds / SCHEMBL963508

SCHEMBL963508

SCHEMBL963508

Cc1nn(C)c(-n2ncc3ccccc32)c1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.42
▸ HPGD P15428 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ MGAM O43451 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SI P14410 1/20 0.35
▸ MGAM2 Q2M2H8 1/20 0.35
▸ PHGDH O43175 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KMO O15229 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL4554904 0.87 RAB9A (0.34) HTTHPGDCYP1A2CYP2C9SMN1; SMN2
SCHEMBL962885 0.83 ALDH1A1 (0.49) HPGDSMN1; SMN2LMNAL3MBTL1MAPT
SCHEMBL962886 0.83 ALDH1A1 (0.49) HPGDSMN1; SMN2LMNAL3MBTL1MAPT
SCHEMBL963496 0.78 HTT (0.47) HTTHPGDCYP1A2CYP2C9SMN1; SMN2
SCHEMBL965856 0.77 HTT (0.40) HTTHPGDCYP1A2CYP2C9SMN1; SMN2
SCHEMBL963891 0.75 CYP1A2 (0.45) HTTHPGDCYP1A2CYP2C9SMN1; SMN2
SCHEMBL962780 0.72 PPARG (0.39) SMN1; SMN2PHGDHNPC1RAB9AALDH1A1
SCHEMBL966733 0.71 HTT (0.40) HTTHPGDCYP1A2CYP2C9SMN1; SMN2
SCHEMBL963024 0.70 FGFR1 (0.46) HTTL3MBTL1MAPTKDM4E
SCHEMBL11888542 0.69 CYP11B1 (0.45) HPGDCYP1A2SMN1; SMN2LMNAMAPT

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 — — US disclosed
CN-101646653-A Fused ring compounds as partial agonists of ppar-gamma TAKEDA PHARMACEUTICAL JP 2010-02-10 — — CN disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 — — EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 — — WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 — — 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 HTT 3376/4885HPGD 598/4885CYP1A2 537/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG HTT 3799/4885HPGD 378/4885CYP1A2 665/4885

“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.