SCHEMBL4035759

SCHEMBL4035759

Oc1ccc(-c2n[nH]c3ccccc23)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.61
TTK P33981 2/20 0.59
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
ALPL P05186 1/20 0.59
GAA P10253 1/20 0.59
HPGD P15428 1/20 0.59
MAPK10 P53779 1/20 0.59
AURKA O14965 2/20 0.57
MAP2K4 P45985 2/20 0.55
MAPK1 P28482 1/20 0.55
MAPKAPK3 Q16644 1/20 0.55
MAPK6 Q16659 1/20 0.55
LRRK2 Q5S007 2/20 0.50
CHEK1 O14757 2/20 0.49
CDK4 P11802 2/20 0.49
CCNA2 P20248 2/20 0.49
CCND1 P24385 2/20 0.49
CDK2 P24941 2/20 0.49
CCND3 P30281 2/20 0.49

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
SCHEMBL23496936 0.85 IDO1 (0.56) IDO1TTKKDM4EALDH1A1ALPL
SCHEMBL30719647 0.85 IDO1 (0.56) IDO1TTKKDM4EALDH1A1ALPL
SCHEMBL30719653 0.85 IDO1 (0.56) IDO1TTKKDM4EALDH1A1ALPL
SCHEMBL4200287 0.80 IDO1 (0.71) IDO1TTKKDM4EALDH1A1ALPL
SCHEMBL1513096 0.79 AURKA (0.66) IDO1TTKKDM4EALDH1A1ALPL
SCHEMBL4032487 0.79 MAP2K4 (0.61) IDO1MAP2K4CHEK1CDK4CCNA2
SCHEMBL19597646 0.77 TTK (0.72) IDO1TTKKDM4EALDH1A1ALPL
SCHEMBL13927625 0.77 IDO1 (0.63) IDO1TTKKDM4EALDH1A1ALPL
SCHEMBL11012724 0.77 ESR1 (0.59) IDO1TTKKDM4EALDH1A1ALPL
SCHEMBL1672674 0.77 IDO1 (0.78) IDO1TTKKDM4EALDH1A1ALPL

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols WYETH (US) 2007-09-27 US claimed
US-7241791-B2 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2007-07-10 US claimed
US-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors WYETH (US) 2006-05-25 US claimed
EP-1542976-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES Wyeth (US) 2005-06-22 EP claimed
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 US claimed
WO-2004031159-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH (US) 2004-04-15 WO claimed
EP-1542976-B1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH CORP (US) 2009-02-04 EP disclosed
US-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols WYETH (US) 2007-09-27 US disclosed
US-7241791-B2 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2007-07-10 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 (3 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-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols INSR, TNNI3, INSRR IDO1 98/4885TTK 4121/4885KDM4E 339/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 IDO1 56/4885TTK 3820/4885KDM4E 408/4885
US-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors IKBKB, NFKBIA, IKBKG IDO1 3347/4885TTK 357/4885KDM4E 2247/4885

“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.