SCHEMBL22015906

SCHEMBL22015906

CN(C)c1ccc(C(=O)NCCNC(=O)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.71
HDAC6 Q9UBN7 10/20 0.71
HDAC10 Q969S8 8/20 0.71
HDAC8 Q9BY41 8/20 0.71
HDAC2 Q92769 7/20 0.71
HDAC3 O15379 5/20 0.71
HDAC11 Q96DB2 5/20 0.71
HDAC4 P56524 4/20 0.71
HDAC7 Q8WUI4 4/20 0.71
HDAC9 Q9UKV0 4/20 0.71
HDAC5 Q9UQL6 4/20 0.71
LTA4H P09960 1/20 0.65
ALDH1A1 P00352 3/20 0.63
KDM4E B2RXH2 1/20 0.63
HTT P42858 1/20 0.63
KMT2A Q03164 1/20 0.61
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
POLB P06746 1/20 0.58
TDP1 Q9NUW8 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
SCHEMBL16096832 0.91 HDAC1 (0.65) HDAC1HDAC6HDAC10HDAC8HDAC2
SCHEMBL12127779 0.91 HDAC1 (0.65) HDAC1HDAC6HDAC10HDAC8HDAC2
SCHEMBL4171218 0.89 HDAC1 (0.68) HDAC1HDAC6HDAC10HDAC8HDAC2
SCHEMBL17027760 0.88 HPGD (0.66) HDAC1HDAC6HDAC10HDAC8HDAC2
SCHEMBL16128933 0.88 HDAC1 (0.70) HDAC1HDAC6HDAC10HDAC8HDAC2
SCHEMBL17404990 0.88 HDAC1 (0.72) HDAC1HDAC6HDAC10HDAC8HDAC2
SCHEMBL13753321 0.86 ALDH1A1 (0.61) HDAC1HDAC6HDAC10HDAC8HDAC2
SCHEMBL13577993 0.86 HDAC1 (0.73) HDAC1HDAC6HDAC10HDAC8HDAC2
SCHEMBL16128934 0.86 HDAC1 (0.73) HDAC1HDAC6HDAC10HDAC8HDAC2
SCHEMBL19133502 0.86 HDAC1 (0.71) HDAC1HDAC6HDAC10HDAC8HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164328-B Difunctional and multifunctional coinitiators in dental compositions 登士柏德特里有限公司 2024-02-27 CN disclosed
US-20220000721-A1 BIFUNCTIONAL AND POLYFUNCTIONAL COINITIATORS IN DENTAL COMPOSITIONS DENTSPLY SIRONA INC. (US) 2022-01-06 US disclosed
CN-113164328-A Bifunctional and multifunctional coinitiators in dental compositions 登士柏德特里有限公司 2021-07-23 CN disclosed
WO-2020099518-A1 BIFUNCTIONAL AND POLYFUNCTIONAL COINITIATORS IN DENTAL COMPOSITIONS DENTSPLY DETREY GMBH (DE) 2020-05-22 WO disclosed
EP-3653194-A1 BIFUNCTIONAL AND POLYFUNCTIONAL COINITIATORS IN DENTAL COMPOSITIONS Dentsply DeTrey GmbH (DE) 2020-05-20 EP 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 (1 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-20220000721-A1 BIFUNCTIONAL AND POLYFUNCTIONAL COINITIATORS IN DENTAL COMPOSITIONS DUOX2, DUOX1, QSOX1 HDAC1 674/4885HDAC6 1655/4885HDAC10 1435/4885

“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.