SCHEMBL4495255

SCHEMBL4495255

CC(C)(C)C#Cc1ccc(C(=O)O)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.46
P4HTM Q9NXG6 2/20 0.46
P4HA1 P13674 1/20 0.46
MIF P14174 1/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
HAO1 Q9UJM8 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
GRM5 P41594 5/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL4490117 0.83 MAPK1 (0.53) EGLN1KDM4EKMT2AATML3MBTL1
SCHEMBL16011593 0.81 P4HTM (0.50) EGLN1P4HTMP4HA1MIFKDM4E
SCHEMBL7604375 0.78 P4HTM (0.47) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL27175893 0.75 MMP2 (0.49) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL13730442 0.75 P4HTM (0.53) EGLN1P4HTMP4HA1MIFKDM4E
SCHEMBL18547170 0.74 P4HTM (0.55) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL15494726 0.73 P4HTM (0.46) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL2107307 0.73 KDM4E (0.46) EGLN1P4HTMP4HA1MIFKDM4E
SCHEMBL22134783 0.73 FFAR1 (0.56) P4HTMP4HA1MIFCHRM2
SCHEMBL287315 0.73 P4HTM (0.53) EGLN1P4HTMP4HA1MIFKDM4E

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
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
EP-1853269-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2007-11-14 EP disclosed
WO-2006093832-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2006-09-08 WO disclosed
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-08-31 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 (2 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-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 EGLN1 2591/4885P4HTM 1472/4885P4HA1 2424/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 EGLN1 2591/4885P4HTM 1472/4885P4HA1 2424/4885

“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.