SCHEMBL6598560

SCHEMBL6598560

O=C(Cl)C(c1ccccc1)N1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.68
CYP3A4 P08684 3/20 0.57
CYP2C19 P33261 2/20 0.57
TSHR P16473 4/20 0.56
LMNA P02545 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
KCNA5 P22460 1/20 0.50
HIF1A Q16665 1/20 0.50
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL1706030 0.88 ALDH1A1 (0.73) ALDH1A1CYP3A4CYP2C19TSHRLMNA
SCHEMBL627906 0.88 ALDH1A1 (0.73) ALDH1A1CYP3A4CYP2C19TSHRLMNA
Hydrochloric Acid SCHEMBL15063255 0.86 ALDH1A1 (0.77) ALDH1A1CYP3A4CYP2C19TSHRLMNA
SCHEMBL12174899 0.83 ALDH1A1 (0.68) ALDH1A1CYP3A4CYP2C19TSHRLMNA
SCHEMBL15711320 0.83 ALDH1A1 (0.68) ALDH1A1CYP3A4CYP2C19TSHRLMNA
SCHEMBL18949027 0.83 ALDH1A1 (0.68) ALDH1A1CYP3A4CYP2C19TSHRLMNA
SCHEMBL6790327 0.83 ALDH1A1 (0.68) ALDH1A1CYP3A4CYP2C19TSHRLMNA
SCHEMBL8919299 0.83 ALDH1A1 (0.68) ALDH1A1CYP3A4CYP2C19TSHRLMNA
SCHEMBL2468109 0.82 LMNA (0.73) ALDH1A1CYP3A4CYP2C19TSHRLMNA
SCHEMBL888796 0.81 ALDH1A1 (0.64) ALDH1A1CYP3A4CYP2C19TSHRLMNA

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 6 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 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 ALDH1A1 543/4885CYP3A4 1226/4885CYP2C19 1064/4885

“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.