SCHEMBL6014402

SCHEMBL6014402

CN(C)c1ccc(-c2cnc(-c3ccc(S(=O)(=O)N4CCNCC4)cc3)o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.58
ATR Q13535 1/20 0.46
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA4 P22748 1/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 1/20 0.42
CDK2 P24941 1/20 0.41
POLB P06746 3/20 0.41
TP53 P04637 4/20 0.40
IKBKB O14920 2/20 0.40
CHUK O15111 2/20 0.40
LMNA P02545 2/20 0.40
BLM P54132 1/20 0.40
AURKA O14965 1/20 0.40
NPC1 O15118 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL6014359 0.88 SMN1; SMN2 (0.48) HTR6CA1CA2MAPTALDH1A1
SCHEMBL6014404 0.88 POLB (0.48) HTR6CA1CA2CA12MAPT
SCHEMBL6870234 0.84 HTR6 (0.53) HTR6CA1CA2CA12CA4
SCHEMBL6014725 0.80 CA1 (0.50) HTR6CA1CA2CA12MAPT
SCHEMBL20356911 0.79 CA1 (0.49) HTR6CA1CA2CA12MAPT
SCHEMBL12231198 0.79 CA1 (0.51) HTR6CA1CA2CA12MAPT
SCHEMBL6014360 0.79 CA1 (0.51) HTR6CA1CA2CA12MAPT
SCHEMBL6014446 0.78 CA1 (0.68) HTR6CA1CA2CA12CA4
SCHEMBL6014518 0.78 NPC1 (0.50) HTR6CA1CA2CA12MAPT
SCHEMBL6014374 0.74 HTR6 (0.52) HTR6CA1CA2MAPTALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6815445-B2 FOR USE AS FLUORESCENCE DYES AND PROBES Life Technologies Corporation 2004-11-09 US claimed
EP-1442027-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-08-04 EP claimed
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-06-05 US claimed
WO-2003031419-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-04-17 WO claimed
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 HTR6 1602/4885ATR 4435/4885CA1 1667/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 HTR6 1602/4885ATR 4435/4885CA1 1667/4885

“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.