SCHEMBL4581826

SCHEMBL4581826

CC(Oc1cccc(-n2cnnn2)c1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.62
TP53 P04637 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.53
USP2 O75604 2/20 0.53
MEN1 O00255 1/20 0.53
EPHX2 P34913 1/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
PTGS2 P35354 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL4581188 0.87 TP53 (0.62) KMT2ATP53SMN1; SMN2USP2MEN1
SCHEMBL4687162 0.86 TP53 (0.57) KMT2ATP53SMN1; SMN2USP2MEN1
SCHEMBL4210419 0.84 KMT2A (0.62) KMT2ATP53SMN1; SMN2USP2MEN1
SCHEMBL4199184 0.80 KMT2A (0.53) KMT2ATP53SMN1; SMN2USP2MEN1
SCHEMBL17258103 0.80 TP53 (0.56) KMT2ATP53SMN1; SMN2MEN1LMNA
SCHEMBL15825106 0.79 KMT2A (0.71) KMT2ATP53SMN1; SMN2USP2MEN1
SCHEMBL4687166 0.78 KMT2A (0.55) KMT2ATP53SMN1; SMN2USP2MEN1
SCHEMBL29928369 0.77 TP53 (0.72) KMT2ATP53SMN1; SMN2USP2MEN1
SCHEMBL4581685 0.77 TP53 (0.72) KMT2ATP53SMN1; SMN2USP2MEN1
SCHEMBL4202843 0.76 TP53 (0.61) KMT2ATP53SMN1; SMN2EPHX2TSHR

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-1663204-B1 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2014-05-07 EP disclosed
US-8362017-B2 N-[5-chloro-2-(methyloxy)phenyl]-2-{[3-(1H-tetrazol-1-yl)phenyl]oxy}acetamide; antiproliferative agents; protein kinase inhibitors; drug screening EXELIXIS, INC. (US) 2013-01-29 US disclosed
US-8362017-B2 N-[5-chloro-2-(methyloxy)phenyl]-2-{[3-(1H-tetrazol-1-yl)phenyl]oxy}acetamide; antiproliferative agents; protein kinase inhibitors; drug screening EXELIXIS, INC. (US) 2013-01-29 US disclosed
US-8362017-B2 N-[5-chloro-2-(methyloxy)phenyl]-2-{[3-(1H-tetrazol-1-yl)phenyl]oxy}acetamide; antiproliferative agents; protein kinase inhibitors; drug screening EXELIXIS, INC. (US) 2013-01-29 US disclosed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 US disclosed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 US disclosed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 US 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-20080096892-A1 C-Kit Modulators And Methods Of Use KIT, PRKCH, PRKCB KMT2A 1897/4885TP53 1271/4885SMN1; SMN2 3206/4885

“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.