SCHEMBL6598540

SCHEMBL6598540

c1ccc(C[N]OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
IDO1 P14902 1/20 0.46
AGXT P21549 1/20 0.44
ALDH1A1 P00352 4/20 0.41
TRPA1 O75762 1/20 0.41
CYP3A4 P08684 1/20 0.41
MIF P14174 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
PTGS1 P23219 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL11337111 0.79 TP53 (0.44) TSHRIDO1ALDH1A1TRPA1CYP3A4
SCHEMBL10667652 0.79 TSHR (0.44) TSHRIDO1AGXTALDH1A1TRPA1
SCHEMBL1852892 0.79 ALDH1A1 (0.40) TSHRIDO1ALDH1A1TRPA1CYP3A4
SCHEMBL16005783 0.77 TSHR (0.57) TSHRIDO1AGXTALDH1A1TRPA1
SCHEMBL3255086 0.75 TSHR (0.55) TSHRIDO1AGXTALDH1A1RAB9A
SCHEMBL1425850 0.73 TSHR (0.52) TSHRIDO1AGXTALDH1A1RAB9A
SCHEMBL4767507 0.73 TSHR (0.52) TSHRIDO1AGXTALDH1A1RAB9A
SCHEMBL8251 0.73 NOS2 (0.43) TSHRIDO1ALDH1A1TRPA1CYP3A4
SCHEMBL214681 0.73 TSHR (0.52) TSHRIDO1AGXTALDH1A1RAB9A
SCHEMBL29169702 0.73 TSHR (0.52) TSHRIDO1AGXTALDH1A1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280802-B1 INDAZOLES SUBSTITUTED WITH 1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG LIFE SCIENCES LTD (KR) 2004-05-06 EP claimed
US-6620831-B2 Cyclin dependent kinase inhibitors; anticarcinogenic and antiinflammatory agents; restenosis, angiogenesis LG LIFE SCIENCES LTD. (KR) 2003-09-16 US claimed
US-20030149034-A1 INDAZOLES SUBSTITUTED WITH1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG LIFE SCIENCES LTD. (KR) 2003-08-07 US claimed
EP-1280802-A4 INDAZOLES SUBSTITUTED WITH 1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG LIFE SCIENCES LTD (KR) 2003-06-11 EP claimed
EP-1280802-A1 INDAZOLES SUBSTITUTED WITH 1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG Life Sciences Ltd. (KR) 2003-02-05 EP claimed
WO-2001085726-A1 INDAZOLES SUBSTITUTED WITH 1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG LIFE SCIENCES LTD. (KR) 2001-11-15 WO claimed
EP-1280802-B1 INDAZOLES SUBSTITUTED WITH 1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG LIFE SCIENCES LTD (KR) 2004-05-06 EP disclosed
US-6620831-B2 Cyclin dependent kinase inhibitors; anticarcinogenic and antiinflammatory agents; restenosis, angiogenesis LG LIFE SCIENCES LTD. (KR) 2003-09-16 US disclosed
US-20030149034-A1 INDAZOLES SUBSTITUTED WITH1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG LIFE SCIENCES LTD. (KR) 2003-08-07 US disclosed
EP-1280802-A4 INDAZOLES SUBSTITUTED WITH 1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG LIFE SCIENCES LTD (KR) 2003-06-11 EP disclosed
EP-1280802-A1 INDAZOLES SUBSTITUTED WITH 1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG Life Sciences Ltd. (KR) 2003-02-05 EP disclosed
WO-2001085726-A1 INDAZOLES SUBSTITUTED WITH 1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG LIFE SCIENCES LTD. (KR) 2001-11-15 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-20030149034-A1 INDAZOLES SUBSTITUTED WITH1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION CCNA1, CCNI, CCNT1 TSHR 4025/4885IDO1 60/4885AGXT 2747/4885

“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.