SCHEMBL6014557

SCHEMBL6014557

CN(C)c1ccc(-c2cnc(-c3ccc(S(=O)(=O)NCCNC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3)o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.42
MMP2 P08253 3/20 0.41
MMP9 P14780 3/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA12 O43570 1/20 0.40
CA4 P22748 1/20 0.40
TP53 P04637 3/20 0.36
ALOX15 P16050 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
NPC1 O15118 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL300386 0.84 HTR6 (0.44) HTR6MMP2MMP9CA1CA2
SCHEMBL6014512 0.83 HTR6 (0.44) HTR6MMP2MMP9CA1CA2
SCHEMBL6014405 0.80 HTR6 (0.48) HTR6MMP2MMP9CA1CA2
SCHEMBL6014544 0.80 HTR6 (0.47) HTR6MMP2MMP9CA1CA2
SCHEMBL6014355 0.80 MMP9 (0.48) HTR6MMP2MMP9CA1CA2
SCHEMBL6014500 0.77 MMP2 (0.43) HTR6MMP2MMP9CA1CA2
SCHEMBL6014472 0.76 MMP2 (0.47) HTR6MMP2MMP9CA1CA2
SCHEMBL6014370 0.76 HTR6 (0.50) HTR6TP53KDM4EMAPTLMNA
SCHEMBL6014593 0.75 ALDH1A1 (0.39) HTR6MMP2MMP9ALDH1A1HPGD
SCHEMBL6014510 0.74 HTR6 (0.45) HTR6MMP2MMP9CA1CA2

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 HTR6 1602/4885MMP2 3933/4885MMP9 4294/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 HTR6 1602/4885MMP2 3933/4885MMP9 4294/4885

“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.