SCHEMBL6014518

SCHEMBL6014518

CN(C)c1ccc(-c2cnc(-c3ccc(S(=O)(=O)F)cc3)o2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.50
ALOX15 P16050 2/20 0.50
CASP1 P29466 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
HTR6 P50406 1/20 0.47
TSHR P16473 1/20 0.46
RAB9A P51151 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
TP53 P04637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
STAT1 P42224 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL12231198 0.88 CA1 (0.51) NPC1ALOX15CASP1CA1CA2
SCHEMBL6014360 0.88 CA1 (0.51) NPC1ALOX15CASP1CA1CA2
SCHEMBL6014446 0.86 CA1 (0.68) NPC1ALOX15CASP1CA1CA2
SCHEMBL6014725 0.86 CA1 (0.50) NPC1ALOX15CASP1CA1CA2
SCHEMBL20356911 0.85 CA1 (0.49) NPC1ALOX15CASP1CA1CA2
SCHEMBL6014540 0.80 CA1 (0.44) NPC1ALOX15CASP1CA1CA2
SCHEMBL1809702 0.80 ALOX15 (0.74) NPC1ALOX15CASP1TSHRRAB9A
SCHEMBL14140425 0.80 ALOX15 (0.54) NPC1ALOX15CASP1CA1CA2
SCHEMBL4879301 0.80 ALOX15 (0.74) NPC1ALOX15CASP1TSHRRAB9A
SCHEMBL13600370 0.80 RAB9A (0.67) NPC1ALOX15CASP1HTR6TSHR

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 NPC1 2242/4885ALOX15 1525/4885CASP1 550/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 NPC1 2242/4885ALOX15 1525/4885CASP1 550/4885

“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.