SCHEMBL4378408

SCHEMBL4378408

CN(CC(N)=O)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ALOX5 P09917 1/20 0.40
OGG1 O15527 1/20 0.38
LMNA P02545 2/20 0.38
EPHX1 P07099 1/20 0.38
HTT P42858 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL3349309 0.82 MAPT (0.41) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL1532229 0.80 RXFP1 (0.48) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL12656352 0.78 CA1 (0.48) SMN1; SMN2MEN1MAPTALDH1A1ALOX5
SCHEMBL2557220 0.78 CYP2A6 (0.52) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL28791227 0.78 HPGD (0.46) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL28791233 0.77 HPGD (0.45) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL8415852 0.75 PARP10 (0.54) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL17967899 0.74 ALDH1A1 (0.42) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL3997515 0.74 ALOX5 (0.47) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL25316334 0.72 MAPT (0.41) SMN1; SMN2MEN1KMT2AMAPTKDM4E

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
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
EP-1670757-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 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-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 SMN1; SMN2 4724/4885MEN1 4720/4885KMT2A 3400/4885

“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.