SCHEMBL6014381

SCHEMBL6014381

NCCC(O)CCc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.62
CYP2A6 P11509 1/20 0.59
HRH1 P35367 2/20 0.56
CYP2D6 P10635 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP3A4 P08684 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TBXAS1 P24557 4/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.42
ANPEP P15144 1/20 0.42
ERAP2 Q6P179 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
ESR1 P03372 1/20 0.42
CYP19A1 P11511 1/20 0.42

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
SCHEMBL5016747 0.91 CHRNA7 (0.57) CHRNA7CYP2A6HRH1CYP2D6TDP1
SCHEMBL8477435 0.85 CHRNA7 (0.50) CHRNA7CYP2A6HRH1CYP2D6TDP1
SCHEMBL6950222 0.83 CHRNA7 (0.52) CHRNA7CYP2A6HRH1CYP2D6TDP1
SCHEMBL6950227 0.83 CHRNA7 (0.52) CHRNA7CYP2A6HRH1CYP2D6TDP1
SCHEMBL7831473 0.83 CHRNA7 (0.52) CHRNA7CYP2A6HRH1CYP2D6TDP1
SCHEMBL6950753 0.81 TDP1 (0.54) CHRNA7CYP2A6HRH1TDP1L3MBTL1
SCHEMBL10034621 0.81 TDP1 (0.54) CHRNA7CYP2A6HRH1TDP1L3MBTL1
SCHEMBL6946868 0.81 CHRNA7 (0.50) CHRNA7CYP2A6HRH1CYP2D6TDP1
SCHEMBL3923399 0.81 CYP2A6 (0.59) CHRNA7CYP2A6HRH1CYP2D6TDP1
SCHEMBL8464889 0.81 TBXAS1 (0.53) CHRNA7CYP2A6HRH1TDP1L3MBTL1

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 CHRNA7 4822/4885CYP2A6 316/4885HRH1 1821/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 CHRNA7 4822/4885CYP2A6 316/4885HRH1 1821/4885

“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.