SCHEMBL6014474

SCHEMBL6014474

NCCC(=O)CCCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.64
HDAC3 O15379 3/20 0.64
HDAC2 Q92769 3/20 0.64
HDAC8 Q9BY41 3/20 0.64
HDAC6 Q9UBN7 3/20 0.64
HDAC5 Q9UQL6 3/20 0.64
HDAC4 P56524 2/20 0.64
HDAC7 Q8WUI4 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC9 Q9UKV0 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
MAPK1 P28482 1/20 0.64
ADRA1A P35348 1/20 0.64
SLC6A3 Q01959 1/20 0.64
TDP1 Q9NUW8 2/20 0.58
NPC1 O15118 1/20 0.58
CASP3 P42574 1/20 0.58
RAB9A P51151 1/20 0.58
SENP8 Q96LD8 1/20 0.58

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
SCHEMBL5674267 0.92 HDAC1 (0.75) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL19561359 0.88 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL4886613 0.85 MAPT (0.73) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL24288490 0.85 MAOA (0.59) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL7279036 0.84 HDAC1 (0.77) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL11137519 0.83 MAPT (0.77) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL1508071 0.83 MAPT (0.77) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL28609434 0.83 MAPT (0.77) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL27831457 0.83 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL9404033 0.83 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105017181-B The preparation method of Carfilzomib key intermediate and its derivative 南京师范大学 2017-10-10 CN disclosed
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 HDAC1 1077/4885HDAC3 2287/4885HDAC2 2129/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 HDAC1 1077/4885HDAC3 2287/4885HDAC2 2129/4885

“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.