SCHEMBL4461230

SCHEMBL4461230

COc1cccc(CNC(=O)C(N)=O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
MMP13 P45452 2/20 0.65
HTT P42858 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
POLB P06746 2/20 0.63
HPGD P15428 3/20 0.61
KDM4E B2RXH2 1/20 0.61
USP2 O75604 1/20 0.61
EPHX2 P34913 2/20 0.58
LMNA P02545 1/20 0.58
GABRP O00591 1/20 0.57
GABRD O14764 1/20 0.57
GABRA1 P14867 1/20 0.57
GABRB1 P18505 1/20 0.57
GABRG2 P18507 1/20 0.57
GABRB3 P28472 1/20 0.57
GABRA5 P31644 1/20 0.57
GABRA3 P34903 1/20 0.57
GABRA2 P47869 1/20 0.57
GABRB2 P47870 1/20 0.57

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
SCHEMBL30104666 0.88 ALDH1A1 (0.68) ALDH1A1MMP13HTTSMN1; SMN2POLB
SCHEMBL8245692 0.88 ALDH1A1 (0.68) ALDH1A1MMP13HTTSMN1; SMN2POLB
SCHEMBL15682810 0.87 ALDH1A1 (0.63) ALDH1A1MMP13HTTSMN1; SMN2POLB
SCHEMBL3815151 0.84 ALDH1A1 (0.72) ALDH1A1MMP13HTTSMN1; SMN2POLB
SCHEMBL19373061 0.84 TACR1 (0.51) ALDH1A1MMP13HTTSMN1; SMN2POLB
SCHEMBL8472235 0.84 ALDH1A1 (0.63) ALDH1A1MMP13HTTSMN1; SMN2POLB
SCHEMBL2931410 0.83 MMP13 (0.70) ALDH1A1MMP13HTTSMN1; SMN2POLB
SCHEMBL660541 0.83 MMP13 (0.70) ALDH1A1MMP13HTTSMN1; SMN2POLB
SCHEMBL23771131 0.82 ALDH1A1 (0.65) ALDH1A1MMP13HTTSMN1; SMN2POLB
SCHEMBL21254127 0.82 ALDH1A1 (0.74) ALDH1A1MMP13HTTSMN1; SMN2POLB

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
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
EP-1673085-A4 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-12-10 EP claimed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 US claimed
EP-1673085-A2 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-28 EP claimed
WO-2005030140-A2 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-04-07 WO claimed
WO-2023118434-A1 PESTICIDALLY ACTIVE AMIDE COMPOUNDS GLOBACHEM NV (BE) 2023-06-29 WO disclosed
EP-1673085-A4 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-12-10 EP disclosed
EP-1673085-A2 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-28 EP disclosed
WO-2005030140-A2 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-04-07 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-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS ALDH1A1 1438/4885MMP13 606/4885HTT 4789/4885

“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.