Sugi Predict

Sugi Predict / Compounds / SCHEMBL4473871

SCHEMBL4473871

SCHEMBL4473871

CCCn1nc(C(=O)c2cccc(O)c2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 6/20 0.43
▸ CNR2 P34972 6/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ GMNN O75496 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ CLK1 P49759 1/20 0.41

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
SCHEMBL4493511 0.84 CYP2C19 (0.41) CNR1CNR2ALDH1A1CYP2C19HPGD
SCHEMBL4491938 0.83 CYP2C19 (0.40) LMNATSHRNPSR1ALDH1A1CYP2C19
SCHEMBL4481117 0.83 PTGER4 (0.54) CNR1CNR2TSHRNPSR1ALDH1A1
SCHEMBL4481873 0.82 CLK1 (0.39) TSHRNPSR1CYP2C19CYP1A2CYP3A4
SCHEMBL4475989 0.82 CYP2C19 (0.39) TSHRNPSR1CYP2C19CYP1A2CYP3A4
SCHEMBL4481869 0.82 CLK1 (0.39) TSHRNPSR1CYP2C19CYP1A2CYP3A4
SCHEMBL4474789 0.82 CYP2C19 (0.38) LMNATSHRNPSR1ALDH1A1CYP2C19
SCHEMBL4481957 0.80 ESR1 (0.45) CNR2LMNATSHRNPSR1ALDH1A1
SCHEMBL4478228 0.78 HTR4 (0.46) TSHRCYP2C19CLK1DYRK1ADYRK1B
SCHEMBL3017718 0.77 TSHR (0.53) CNR1CNR2TSHRNPSR1ALDH1A1

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-20060106084-A1 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones WYETH (US) 2006-05-18 — — US claimed
WO-2006050006-A2 ((1H-INDAZOL-3-YL)METHYL) PHENOLS AND (HYDROXYPHENYL)(1H-INDAZOL-3-YL) METHANONES AS LIGANDS OF THE ESTROGEN RECEPTOR WYETH (US) 2006-05-11 — — WO claimed
US-7598286-B2 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones WYETH (US) 2009-10-06 — — US disclosed
US-20060106084-A1 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones WYETH (US) 2006-05-18 — — US disclosed
WO-2006050006-A2 ((1H-INDAZOL-3-YL)METHYL) PHENOLS AND (HYDROXYPHENYL)(1H-INDAZOL-3-YL) METHANONES AS LIGANDS OF THE ESTROGEN RECEPTOR WYETH (US) 2006-05-11 — — 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 (1 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-20060106084-A1 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones PTGS1, NOS3, PTGIS CNR1 507/4885CNR2 588/4885LMNA 2104/4885

“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.