SCHEMBL6014424

SCHEMBL6014424

NCCCCCC(C(=O)O)c1ccc(N)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 12/20 0.49
CPB1 P15086 2/20 0.47
GSR P00390 1/20 0.43
TBXAS1 P24557 2/20 0.42
RNPEP Q9H4A4 1/20 0.42
CPN1 P15169 2/20 0.41
GRM8 O00222 1/20 0.39
GRM7 Q14831 1/20 0.39
GRM4 Q14833 1/20 0.39
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL20850639 0.86 TBXAS1 (0.54) CPB2CPB1GSRTBXAS1RNPEP
SCHEMBL4423279 0.85 LMNA (0.51) TBXAS1POLB
SCHEMBL27319929 0.85 GSTK1 (0.42) CPB2TBXAS1CPN1GRM8GRM7
SCHEMBL5322781 0.84 HRH1 (0.52) CPB2CPB1GSRTBXAS1RNPEP
SCHEMBL6143732 0.83 LMNA (0.49) CPB2TBXAS1CPN1GRM8GRM7
SCHEMBL7919116 0.83 CPB2 (0.46) CPB2CPB1GSRTBXAS1RNPEP
SCHEMBL8029034 0.81 LMNA (0.47) CPB2CPN1GRM8GRM7GRM4
SCHEMBL3781893 0.79 HRH1 (0.59) CPB2CPB1TBXAS1CPN1
SCHEMBL28911003 0.78 KMT2A (0.48) CPB2CPB1CPN1POLBTDP1
SCHEMBL28445931 0.78 KMT2A (0.48) CPB2CPB1CPN1POLBTDP1

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-7078406-B2 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, L.L.C. (US) 2006-07-18 US disclosed
US-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes Life Technologies Corporation 2004-12-09 US disclosed
US-6815445-B2 FOR USE AS FLUORESCENCE DYES AND PROBES Life Technologies Corporation 2004-11-09 US disclosed
EP-1442027-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-08-04 EP disclosed
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-06-05 US disclosed
WO-2003031419-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-04-17 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-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 CPB2 2914/4885CPB1 2423/4885GSR 3784/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 CPB2 2914/4885CPB1 2423/4885GSR 3784/4885

“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.