SCHEMBL6990630

SCHEMBL6990630

CCOc1ccc(CC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
MAPT P10636 5/20 0.54
RAB9A P51151 2/20 0.54
HTT P42858 1/20 0.54
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
ALDH1A1 P00352 5/20 0.48
ALOX12 P18054 1/20 0.48
POLB P06746 1/20 0.48
NPC1 O15118 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
FFAR1 O14842 1/20 0.47
ALPG P10696 1/20 0.46

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
SCHEMBL6597514 0.87 LMNA (0.57) LMNAMAPTRAB9AHTTGAA
SCHEMBL2976612 0.85 GAA (0.60) LMNARAB9AHTTGAASMN1; SMN2
SCHEMBL2976618 0.85 GAA (0.60) LMNARAB9AHTTGAASMN1; SMN2
SCHEMBL11680122 0.85 MEN1 (0.51) LMNAMAPTRAB9AHTTGAA
SCHEMBL5913597 0.84 LMNA (0.62) LMNAMAPTRAB9AHTTGAA
SCHEMBL10410167 0.83 CTSV (0.59) LMNAMAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL9521629 0.83 ALDH1A1 (0.47) LMNAMAPTRAB9AHTTGAA
SCHEMBL11680383 0.83 RAB9A (0.45) LMNAMAPTRAB9AHTTGAA
SCHEMBL11680375 0.83 RAB9A (0.45) LMNAMAPTRAB9AHTTGAA
SCHEMBL7984258 0.82 GAA (0.45) LMNAMAPTRAB9AHTTGAA

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-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 LMNA 4245/4885MAPT 3002/4885RAB9A 3873/4885

“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.