SCHEMBL1644150

SCHEMBL1644150

Cc1cc([C@@H](C)NC(=O)c2ccc3nc(C(F)(F)F)nc(NCCCN4CCOCC4)c3c2)c(F)cc1NS(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
LCK P06239 1/20 0.39
KDR P35968 1/20 0.39
JAK3 P52333 1/20 0.39
MAPK14 Q16539 1/20 0.39
MELK Q14680 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BRAF P15056 4/20 0.38
FLT3 P36888 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL1644149 0.88 PPARG (0.36) KMT2A
SCHEMBL1284992 0.85 TRPV1 (0.41) LMNAKDM4ECYP1A2CYP3A4BRAF
SCHEMBL1285193 0.80 TRPV1 (0.41) LMNABRAFALDH1A1
SCHEMBL1285378 0.79 TRPV1 (0.40) MAPTSMN1; SMN2TP53
SCHEMBL1285040 0.78 TRPV1 (0.43) KDM4EHSD17B10TSHR
SCHEMBL1645135 0.78 MAPT (0.58) MAPTLMNAMELKSMN1; SMN2MEN1
SCHEMBL1284831 0.77 MAPT (0.58) MAPTLMNAMELKSMN1; SMN2MEN1
SCHEMBL1284900 0.77 HSD17B10 (0.46) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL1688376 0.76 MAPT (0.57) MAPTLMNAMELKSMN1; SMN2MEN1
SCHEMBL1286035 0.76 MAPK1 (0.46) MEN1KMT2AMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 MAPT 3251/4885LMNA 2439/4885LCK 869/4885

“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.