SCHEMBL6014367

SCHEMBL6014367

NC#CCCCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.54
MAOB P27338 2/20 0.52
HTR2A P28223 2/20 0.47
SIGMAR1 Q99720 4/20 0.45
IDO1 P14902 1/20 0.45
MIF P14174 1/20 0.44
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
NAAA Q02083 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
SCHEMBL6014606 0.98 MAOA (0.52) MAOAMAOBHTR2ASIGMAR1MIF
SCHEMBL6014561 0.98 MAOA (0.52) MAOAMAOBHTR2ASIGMAR1MIF
SCHEMBL6014414 0.94 MAOA (0.50) MAOAMAOBHTR2ASIGMAR1IDO1
SCHEMBL6014476 0.85 SMN1; SMN2 (0.48) MAOAMAOBHTR2AIDO1CYP2A6
SCHEMBL8595502 0.78 TAAR1 (0.53) IDO1TAAR1
SCHEMBL10892521 0.78 MAOA (0.47) MAOAMAOBSIGMAR1MIFL3MBTL1
SCHEMBL10895799 0.78 SIGMAR1 (0.48) MAOAMAOBSIGMAR1MIFNAAA
SCHEMBL28811665 0.78 SIGMAR1 (0.48) MAOAMAOBSIGMAR1MIFNAAA
SCHEMBL28585298 0.78 FFAR1 (0.51) MAOAMAOBSIGMAR1
SCHEMBL451456 0.76 MAOA (0.74) 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 4 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
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-06-05 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.