Sugi Predict

Sugi Predict / Compounds / SCHEMBL6014617

SCHEMBL6014617

SCHEMBL6014617

CC(C#CN)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 4/20 0.44
▸ ADRA2A P08913 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ DPP4 P27487 2/20 0.42
▸ F2 P00734 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ MIF P14174 2/20 0.40
▸ AOC3 Q16853 2/20 0.40
▸ HTR2A P28223 1/20 0.39

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
SCHEMBL9303811 0.87 MIF (0.44) TAAR1ADRA2AADRA2CLMNAHIF1A
SCHEMBL26210808 0.80 MIF (0.40) TAAR1ADRA2AADRA2CLMNAHIF1A
SCHEMBL168226 0.78 ADRA2C (0.41) TAAR1ADRA2AADRA2CLMNAHIF1A
SCHEMBL1453760 0.78 MIF (0.39) TAAR1ADRA2AADRA2CLMNAHIF1A
SCHEMBL6024979 0.78 TAAR1 (0.40) TAAR1ADRA2AADRA2CLMNAHIF1A
SCHEMBL9768610 0.78 AOC3 (0.42) TAAR1ADRA2AADRA2CLMNAHIF1A
SCHEMBL6014619 0.78 TAAR1 (0.48) TAAR1ADRA2AADRA2CLMNAHIF1A
SCHEMBL15764108 0.78 HDAC4 (0.41) LMNAHIF1AKDM4EALDH1A1MIF
SCHEMBL30172156 0.76 APP (0.48) TAAR1LMNAMIFHTR2A
SCHEMBL2867417 0.76 MIF (0.44) TAAR1ADRA2AADRA2CLMNAHIF1A

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 TAAR1 2085/4885ADRA2A 2908/4885ADRA2C 2623/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 TAAR1 2085/4885ADRA2A 2908/4885ADRA2C 2623/4885

“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.