SCHEMBL9938288

SCHEMBL9938288

NC(=O)c1ccccc1CNC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
TP53 P04637 1/20 0.52
PABPC1 P11940 1/20 0.49
LMNA P02545 3/20 0.47
HTT P42858 3/20 0.47
ALOX15 P16050 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
HDAC1 Q13547 1/20 0.44
CHEK1 O14757 1/20 0.44
F2RL1 P55085 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
BRD4 O60885 1/20 0.43

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
SCHEMBL27556387 0.83 ALDH1A1 (0.48) KDM4EALDH1A1KMT2AMEN1TP53
SCHEMBL9938759 0.81 TP53 (0.49) ALDH1A1KMT2AMEN1TP53HDAC1
SCHEMBL23022846 0.77 NPC1 (0.47) ALDH1A1KMT2AMEN1TP53F2RL1
SCHEMBL4707109 0.76 TP53 (0.49) KMT2AMEN1TP53F2RL1NPC1
SCHEMBL6164078 0.76 TP53 (0.53) KDM4EALDH1A1KMT2AMEN1TP53
SCHEMBL21799911 0.76 HTT (0.53) KDM4EALDH1A1KMT2AMEN1PABPC1
SCHEMBL3862346 0.76 PABPC1 (0.66) KDM4EALDH1A1KMT2AMEN1PABPC1
SCHEMBL30776662 0.75 TP53 (0.67) KDM4EALDH1A1KMT2AMEN1TP53
Carbamic Acid SCHEMBL28193601 0.75 ALDH1A1 (0.88) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL6166503 0.74 TP53 (0.51) KDM4EALDH1A1KMT2AMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266832-B2 Compounds for the treatment of neurodegenerative diseases Katholieke Universiteit Levun (BE) 2016-02-23 US disclosed
EP-2651888-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Katholieke Universiteit Leuven K.U. Leuven R&D (BE) 2013-10-23 EP disclosed
US-20130274260-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND (BE) 2013-10-17 US disclosed
WO-2012080221-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-06-21 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-20130274260-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, MAPT, PSEN1 KDM4E 2195/4885ALDH1A1 2718/4885KMT2A 3795/4885

“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.