SCHEMBL5111541

SCHEMBL5111541

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PIK3CD O00329 1/20 0.40
EPHX2 P34913 1/20 0.40
MTOR P42345 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NAMPT P43490 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MCHR1 Q99705 1/20 0.37
POLB P06746 1/20 0.37
CNR1 P21554 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPA1 O75762 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 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
SCHEMBL5120153 0.83 MAPT (0.50) MEN1KMT2AEPHX2ALDH1A1LMNA
SCHEMBL2748592 0.80 DYRK1A (0.44) EPHX2ALDH1A1LMNAHTTNPC1
SCHEMBL5111352 0.79 NPSR1 (0.44) MEN1KMT2AEPHX2SMN1; SMN2GAA
SCHEMBL2989155 0.78 GAA (0.47) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL13480539 0.76 MEN1 (0.77) MEN1KMT2AEPHX2MTORNAMPT
SCHEMBL2991244 0.76 KIF11 (0.51) KMT2AEPHX2NPC1RAB9A
SCHEMBL7113815 0.76 LMNA (0.43) MEN1KMT2AEPHX2ALDH1A1LMNA
SCHEMBL2987276 0.76 PTPN5 (0.34) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL4422986 0.73 RXFP1 (0.43) EPHX2NAMPTLMNAHTTPOLB
SCHEMBL5127453 0.72 NPC1 (0.40) MEN1KMT2AEPHX2LMNAHTT

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 4 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
US-20030060459-A1 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-03-27 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-20050282882-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 MEN1 2396/4885KMT2A 3935/4885PIK3CD 4682/4885
US-20030060459-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 MEN1 2257/4885KMT2A 3842/4885PIK3CD 4679/4885

“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.