SCHEMBL6014543

SCHEMBL6014543

c1ccc(CCCCCCNCc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 1.00
MAOA P21397 1/20 0.83
CHRM2 P08172 1/20 0.80
BCHE P06276 1/20 0.68
GAA P10253 1/20 0.67
MAPT P10636 1/20 0.67
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
TDP1 Q9NUW8 1/20 0.64

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
SCHEMBL8097260 1.00 SIGMAR1 (1.00) SIGMAR1MAOACHRM2BCHEGAA
SCHEMBL6014369 1.00 SIGMAR1 (1.00) SIGMAR1MAOACHRM2BCHEGAA
SCHEMBL7756958 1.00 SIGMAR1 (1.00) SIGMAR1MAOACHRM2BCHEGAA
SCHEMBL8092471 1.00 SIGMAR1 (1.00) SIGMAR1MAOACHRM2BCHEGAA
SCHEMBL6014422 0.98 SIGMAR1 (1.00) SIGMAR1MAOACHRM2BCHEGAA
SCHEMBL4065566 0.91 SIGMAR1 (0.88) SIGMAR1MAOACHRM2BCHEGAA
SCHEMBL4642587 0.91 MAOA (1.00) SIGMAR1MAOACHRM2GAAMAPT
SCHEMBL16260102 0.91 MAOA (1.00) SIGMAR1MAOACHRM2GAAMAPT
SCHEMBL7202099 0.91 MAOA (1.00) SIGMAR1MAOACHRM2GAAMAPT
SCHEMBL8851048 0.91 MAOA (1.00) SIGMAR1MAOACHRM2GAAMAPT

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 SIGMAR1 1287/4885MAOA 297/4885CHRM2 4728/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 SIGMAR1 1287/4885MAOA 297/4885CHRM2 4728/4885

“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.