SCHEMBL2769982

SCHEMBL2769982

O=Cc1cccc2c1CCc1cccc(I)c1C2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.38
CES1 P23141 1/20 0.36
CYP19A1 P11511 2/20 0.34
CYP11B2 P19099 2/20 0.34
MIF P14174 2/20 0.34
TYMS P04818 1/20 0.33
AKR1B1 P15121 2/20 0.33
MAOA P21397 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAOB P27338 2/20 0.31
NR3C2 P08235 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR4 P22455 1/20 0.31
FGFR3 P22607 1/20 0.31

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
SCHEMBL24353347 0.78 CES1 (0.61) TDP2CES1CYP19A1CYP11B2MIF
SCHEMBL2770985 0.77 ALDH1A1 (0.46) CES1AKR1B1ALDH1A1MAPTLMNA
SCHEMBL2769114 0.76 AKR1B1 (0.38) TDP2CES1CYP19A1CYP11B2TYMS
SCHEMBL2768323 0.73 PTPRC (0.43) ALDH1A1MAPTSMN1; SMN2HTTNPSR1
SCHEMBL11683792 0.70 CES1 (0.59) CES1CYP19A1CYP11B2MIFTYMS
SCHEMBL14876837 0.68 LMNA (0.50) TDP2ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL1339854 0.67 TDP2 (0.47) TDP2CES1TYMSMAOAALDH1A1
SCHEMBL11741399 0.65 CYP2A6 (0.46) MAOAALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL1649253 0.65 KCNJ1 (0.47) TYMSMAOAALDH1A1MAPTLMNA
SCHEMBL24353631 0.65 CES1 (0.55) CES1CYP19A1CYP11B2MIFMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1479670-B1 NOVEL FUSED RING INDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-04-21 EP disclosed
EP-1479670-B1 NOVEL FUSED RING INDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-04-21 EP disclosed
US-7390797-B2 Fused indazole compounds EISAI CO., LTD. (JP) 2008-06-24 US disclosed
US-7390797-B2 Fused indazole compounds EISAI CO., LTD. (JP) 2008-06-24 US disclosed
US-7390797-B2 Fused indazole compounds EISAI CO., LTD. (JP) 2008-06-24 US disclosed
US-20060111419-A1 Novel fused indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-25 US disclosed
EP-1479670-A1 NOVEL FUSED RING INDAZOLE COMPOUNDS Eisai Co., Ltd. (JP) 2004-11-24 EP 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-20060111419-A1 Novel fused indazole compounds MAP2K3, MAP3K11, MAP2K2 TDP2 3942/4885CES1 3806/4885CYP19A1 1334/4885

“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.