SCHEMBL1644115

SCHEMBL1644115

CC(=O)c1ccc2nc(C(F)(F)F)nc(N3CCN(c4cccc(Cl)c4)CC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.50
MAPT P10636 5/20 0.49
HTT P42858 3/20 0.49
LMNA P02545 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
USP2 O75604 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.44
C1S P09871 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
HTR7 P34969 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CCR1 P32246 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
SCHEMBL1285711 0.93 ABCG2 (0.53) ABCG2MAPTHTTUSP2HSD17B10
SCHEMBL1688381 0.89 KDM4E (0.52) ABCG2MAPTHTTLMNAHPGD
SCHEMBL1644300 0.83 TLR7 (0.57) MAPTMEN1KMT2ATLR7
SCHEMBL1644191 0.81 PIK3CA (0.50) LMNAUSP2HSD17B10ALDH1A1TLR7
SCHEMBL1643369 0.78 NTSR1 (0.53) MAPTLMNAALDH1A1HTR7
SCHEMBL1644313 0.78 HSD17B10 (0.62) MAPTHTTLMNAHSD17B10HPGD
SCHEMBL1644154 0.77 HDAC6 (0.46) MAPTHTTLMNASMN1; SMN2MEN1
SCHEMBL1643365 0.75 KDM4E (0.53) HTTLMNARXFP1HSD17B10HPGD
SCHEMBL4303881 0.75 TLR7 (0.61) HSD17B10SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL1286133 0.72 NTSR1 (0.55) MAPTLMNAALDH1A1HTR7

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 1 patent. 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

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 ABCG2 659/4885MAPT 3251/4885HTT 3273/4885

“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.