SCHEMBL6014414

SCHEMBL6014414

NC#CCCCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
MAOB P27338 2/20 0.48
HTR2A P28223 2/20 0.48
GRM5 P41594 1/20 0.47
IDO1 P14902 1/20 0.47
SIGMAR1 Q99720 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CYP2A6 P11509 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
HTR3A P46098 1/20 0.44
AOC3 Q16853 1/20 0.44
MIF P14174 1/20 0.42
HDAC3 O15379 1/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 1/20 0.42
HDAC4 P56524 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 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
SCHEMBL6014367 0.94 MAOA (0.54) MAOAMAOBHTR2AIDO1SIGMAR1
SCHEMBL6014561 0.92 MAOA (0.52) MAOAMAOBHTR2ASIGMAR1MIF
SCHEMBL6014606 0.92 MAOA (0.52) MAOAMAOBHTR2ASIGMAR1MIF
SCHEMBL6014476 0.86 SMN1; SMN2 (0.48) MAOAMAOBHTR2AGRM5IDO1
SCHEMBL5966248 0.82 GRM5 (0.50) MAOAMAOBHTR2AGRM5IDO1
SCHEMBL2093416 0.78 GRM5 (0.47) MAOAMAOBHTR2AGRM5IDO1
SCHEMBL29019622 0.78 GRM5 (0.47) MAOAMAOBHTR2AGRM5IDO1
SCHEMBL29048463 0.78 GRM5 (0.51) MAOAMAOBGRM5SIGMAR1HTR3A
SCHEMBL2496079 0.78 GRM5 (0.47) MAOAMAOBHTR2AGRM5IDO1
SCHEMBL28175144 0.78 GRM5 (0.51) MAOAMAOBHTR2AGRM5IDO1

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 7 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
US-4162327-A N,N-Disubstituted-2-furylethyl amines Chinoin Gyogysler Es Vegyeszeti Termeken Gyara Rt. (HU) 1979-07-24 US 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 402/4885HTR2A 2034/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 MAOA 297/4885MAOB 402/4885HTR2A 2034/4885

“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.