SCHEMBL5120153

SCHEMBL5120153

CNC(=O)Nc1[c]cc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
EPHX2 P34913 1/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
P2RX1 P51575 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
RORC P51449 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
KIF11 P52732 1/20 0.35

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
SCHEMBL2748592 0.83 DYRK1A (0.44) MAPTEPHX2RAB9ANPC1HTT
SCHEMBL5111352 0.83 NPSR1 (0.44) EPHX2KMT2AMEN1SMN1; SMN2TRPV1
SCHEMBL5111541 0.83 MEN1 (0.48) EPHX2KMT2AMEN1RAB9ANPC1
SCHEMBL7113815 0.80 LMNA (0.43) MAPTEPHX2KMT2AMEN1RAB9A
SCHEMBL2991244 0.80 KIF11 (0.51) EPHX2KMT2ARAB9ANPC1P2RX1
SCHEMBL4422986 0.77 RXFP1 (0.43) MAPTEPHX2RAB9ANPC1HTT
SCHEMBL2988463 0.77 KIF11 (0.44) EPHX2RAB9ANPC1ALDH1A1CES2
SCHEMBL5127453 0.76 NPC1 (0.40) EPHX2KMT2AMEN1RAB9ANPC1
SCHEMBL2989155 0.76 GAA (0.47) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1196684 0.75 ALDH1A1 (0.55) MAPTKMT2AMEN1RAB9ANPC1

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 MAPT 4241/4885EPHX2 1456/4885KMT2A 3935/4885
US-20030060459-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 MAPT 4369/4885EPHX2 1520/4885KMT2A 3842/4885

“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.