SCHEMBL6014593

SCHEMBL6014593

CN(C)c1ccc(-c2cnc(-c3ccc(S(=O)(=O)NCCNC(=O)CCSSc4ccccn4)cc3)o2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
MMP2 P08253 3/20 0.39
MMP9 P14780 3/20 0.39
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
HTR6 P50406 1/20 0.37
MEN1 O00255 2/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
FLT3 P36888 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34

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
SCHEMBL300386 0.80 HTR6 (0.44) MMP2MMP9MAPTHTR6L3MBTL1
SCHEMBL6014512 0.76 HTR6 (0.44) ALDH1A1MMP2MMP9MAPTHTR6
SCHEMBL6014557 0.75 HTR6 (0.42) ALDH1A1MMP2MMP9MAPTHTR6
SCHEMBL6014405 0.73 HTR6 (0.48) TSHRMMP2MMP9MAPTHTR6
SCHEMBL6014355 0.73 MMP9 (0.48) ALDH1A1TSHRMMP2MMP9KMT2A
SCHEMBL6014544 0.73 HTR6 (0.47) TSHRHTTMMP2MMP9KMT2A
SCHEMBL997019 0.72 HTR6 (0.40) ALDH1A1HTTMMP2MMP9MAPT
SCHEMBL6014500 0.70 MMP2 (0.43) ALDH1A1MMP2MMP9KMT2AMAPT
SCHEMBL6014472 0.70 MMP2 (0.47) ALDH1A1TSHRMMP2MMP9KMT2A
SCHEMBL12599163 0.69 HPGD (0.54) ALDH1A1KMT2AMAPTMEN1PKM

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 ALDH1A1 37/4885USP2 4034/4885TSHR 4569/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 ALDH1A1 37/4885USP2 4034/4885TSHR 4569/4885

“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.