SCHEMBL6014561

SCHEMBL6014561

NC#CCCCCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
MAOB P27338 2/20 0.50
SIGMAR1 Q99720 8/20 0.48
NAAA Q02083 3/20 0.46
MIF P14174 1/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HTR2A P28223 1/20 0.45

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
SCHEMBL6014606 1.00 MAOA (0.52) MAOAMAOBSIGMAR1NAAAMIF
SCHEMBL6014367 0.98 MAOA (0.54) MAOAMAOBSIGMAR1NAAAMIF
SCHEMBL6014414 0.92 MAOA (0.50) MAOAMAOBSIGMAR1MIFHTR2A
SCHEMBL6014476 0.83 SMN1; SMN2 (0.48) MAOAMAOBHTR2A
SCHEMBL28811665 0.80 SIGMAR1 (0.48) MAOAMAOBSIGMAR1NAAAMIF
SCHEMBL10895799 0.80 SIGMAR1 (0.48) MAOAMAOBSIGMAR1NAAAMIF
SCHEMBL10894556 0.78 SIGMAR1 (0.47) MAOAMAOBSIGMAR1NAAAMIF
SCHEMBL10892181 0.78 SIGMAR1 (0.47) MAOAMAOBSIGMAR1NAAAMIF
SCHEMBL676854 0.78 SIGMAR1 (0.71) MAOAMAOBSIGMAR1MAPTRXFP1
SCHEMBL8094527 0.78 SIGMAR1 (0.71) MAOAMAOBSIGMAR1MAPTRXFP1

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 MAOA 297/4885MAOB 402/4885SIGMAR1 1287/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 MAOA 297/4885MAOB 402/4885SIGMAR1 1287/4885

“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.