SCHEMBL5125686

SCHEMBL5125686

FC(F)(F)c1c[c]c(NCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.45
EPHX2 P34913 2/20 0.45
PTPN5 P54829 1/20 0.45
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
VNN1 O95497 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPRZ1 P23471 1/20 0.40
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FFAR1 O14842 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 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
SCHEMBL5121946 0.90 APP (0.43) APPEPHX2ALDH1A1VNN1FFAR1
SCHEMBL5119490 0.84 KCNH2 (0.45) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL5119302 0.84 POLB (0.45) APPEPHX2MEN1ALDH1A1GAA
SCHEMBL5118321 0.83 APP (0.40) APPEPHX2MEN1GAAMAPT
SCHEMBL5120026 0.83 PTGS2 (0.42) APPALDH1A1LMNAHSD17B10
SCHEMBL5126994 0.79 HPGD (0.40) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL3285826 0.76 APP (0.44) APPEPHX2PTPN5MEN1ALDH1A1
SCHEMBL2987276 0.76 PTPN5 (0.34) PTPN5MEN1ALDH1A1MAPTKMT2A
SCHEMBL27894278 0.75 HTT (0.42) APPMAPTSMN1; SMN2LMNAHSD17B10
SCHEMBL7102889 0.74 FFAR1 (0.62) APPEPHX2MEN1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449493-B2 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMACEUTICAL COMPANY (US) 2008-11-11 US disclosed
US-20050282882-A1 Diamines as modulators of chemokine receptor activity CARTER PERCY 2005-12-22 US disclosed
US-6974836-B2 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-12-13 US disclosed
EP-1351924-A2 DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2003-10-15 EP disclosed
US-20030060459-A1 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-03-27 US disclosed
WO-2002050019-A2 DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA CO. (US) 2002-06-27 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 (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-20050282882-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 APP 1895/4885EPHX2 1456/4885PTPN5 3671/4885
US-20030060459-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 APP 1940/4885EPHX2 1520/4885PTPN5 3886/4885

“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.