SCHEMBL21614239

SCHEMBL21614239

COC(=O)NCCc1cn(C)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
RAB9A P51151 1/20 0.59
NQO2 P16083 1/20 0.55
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
TP53 P04637 3/20 0.54
SPR P35270 1/20 0.54
HTR2A P28223 1/20 0.54
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
LMNA P02545 2/20 0.52
GPR84 Q9NQS5 1/20 0.51
NR4A2 P43354 1/20 0.51
RXFP1 Q9HBX9 2/20 0.51
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51

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
SCHEMBL29655424 0.87 KMT2A (0.53) KDM4EKMT2AMEN1RAB9ANQO2
SCHEMBL14550631 0.87 KMT2A (0.53) KDM4EKMT2AMEN1RAB9ANQO2
SCHEMBL12017348 0.86 MEN1 (0.46) KDM4EKMT2AMEN1RAB9ANQO2
SCHEMBL4509981 0.86 NQO2 (0.64) KDM4EKMT2AMEN1RAB9ANQO2
SCHEMBL16822153 0.86 KMT2A (0.62) KDM4EKMT2AMEN1RAB9ATP53
SCHEMBL21614244 0.85 KMT2A (0.58) KDM4EKMT2AMEN1RAB9ATP53
Hydrochloric Acid SCHEMBL29212827 0.84 KMT2A (0.60) KDM4EKMT2AMEN1RAB9ATP53
SCHEMBL17040280 0.83 KDM4E (0.60) KDM4EKMT2AMEN1RAB9ATP53
Hydrochloric Acid SCHEMBL5116140 0.82 SPR (0.76) KDM4EKMT2AMEN1RAB9ANQO2
Sulfuric Acid SCHEMBL29212817 0.81 KMT2A (0.57) KDM4EKMT2AMEN1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230144974-A1 BENZYLTRYPTAMINE COMPOUNDS REUNION NEUROSCIENCE INC. 2023-05-11 US disclosed
US-20220162219-A1 Chiral Bisamino-Ether Compounds, And Method of Preparation and Use Thereof UNIV JINAN (CN) 2022-05-26 US disclosed
WO-2020007017-A1 CHIRAL BISAMINO-ETHER COMPOUNDS, AND METHOD OF PREPARATION AND USE THEREOF JINAN UNIVERSITY (CN) 2020-01-09 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-20220162219-A1 Chiral Bisamino-Ether Compounds, And Method of Preparation and Use Thereof FHIT, BCAT1, BCAT2 KDM4E 1312/4885KMT2A 1242/4885MEN1 3038/4885
US-20230144974-A1 BENZYLTRYPTAMINE COMPOUNDS HTR2C, HTR2A, HTR3B KDM4E 3079/4885KMT2A 1625/4885MEN1 1121/4885

“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.