SCHEMBL6014548

SCHEMBL6014548

N/C=C/CCCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.54
MAOB P27338 2/20 0.52
HTR2A P28223 2/20 0.47
TRPV1 Q8NER1 1/20 0.46
SIGMAR1 Q99720 5/20 0.45
IDO1 P14902 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CYP2A6 P11509 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HTR3A P46098 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
SCHEMBL6014551 1.00 MAOA (0.54) MAOAMAOBHTR2ATRPV1SIGMAR1
SCHEMBL6014627 0.98 MAOA (0.52) MAOAMAOBHTR2ATRPV1SIGMAR1
SCHEMBL6014614 0.98 MAOA (0.52) MAOAMAOBHTR2ATRPV1SIGMAR1
SCHEMBL6014611 0.98 MAOA (0.52) MAOAMAOBHTR2ATRPV1SIGMAR1
SCHEMBL6014629 0.98 MAOA (0.52) MAOAMAOBHTR2ATRPV1SIGMAR1
SCHEMBL6014620 0.94 MAOA (0.50) MAOAMAOBHTR2ASIGMAR1IDO1
SCHEMBL4785068 0.94 MAOA (0.50) MAOAMAOBHTR2ASIGMAR1IDO1
SCHEMBL6014368 0.85 GPR52 (0.50) MAOAMAOBHTR2ACYP2A6SMN1; SMN2
SCHEMBL6014364 0.85 GPR52 (0.50) MAOAMAOBHTR2ACYP2A6SMN1; SMN2
SCHEMBL3581977 0.81 MAOA (0.56) MAOAMAOBHTR2ASIGMAR1IDO1

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 402/4885HTR2A 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.