SCHEMBL22015907

SCHEMBL22015907

C=CCN(C/C=C/CN(CC=C)C(=O)c1ccc(N(C)C)cc1)C(=O)c1ccc(N(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
MAPT P10636 4/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.42
CNR2 P34972 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 3/20 0.41
HDAC6 Q9UBN7 4/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 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
SCHEMBL22015903 0.95 KMT2A (0.57) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL22019519 0.93 KMT2A (0.47) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL176438 0.83 MEN1 (0.47) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL1593720 0.78 KMT2A (0.45) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL9067824 0.78 SMN1; SMN2 (0.49) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL9657085 0.76 ALDH5A1 (0.48) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL30578615 0.76 TSHR (0.46) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL31516973 0.76 ALDH1A1 (0.48) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL3810149 0.75 MEN1 (0.42) KMT2AMEN1HPGDALDH1A1TSHR
SCHEMBL31516874 0.75 ALDH1A1 (0.51) KMT2AMEN1MAPTHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220000721-A1 BIFUNCTIONAL AND POLYFUNCTIONAL COINITIATORS IN DENTAL COMPOSITIONS DENTSPLY SIRONA INC. (US) 2022-01-06 US disclosed
WO-2020099518-A1 BIFUNCTIONAL AND POLYFUNCTIONAL COINITIATORS IN DENTAL COMPOSITIONS DENTSPLY DETREY GMBH (DE) 2020-05-22 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 (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 KMT2A 1673/4885MEN1 2939/4885MAPT 3525/4885

“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.