SCHEMBL4844553

SCHEMBL4844553

NC(=O)C1CCN(C(=O)c2cc3ncnc(NCCc4nc5cc(Cl)ccc5[nH]4)c3cc2Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PARP1 P09874 1/20 0.37
PAK1 Q13153 2/20 0.37
CNR1 P21554 3/20 0.37
EGFR P00533 2/20 0.37
FLT1 P17948 1/20 0.37
EPHX2 P34913 1/20 0.37
CDK1 P06493 3/20 0.37
GRM4 Q14833 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CNR2 P34972 2/20 0.36
AHR P35869 1/20 0.36
HTT P42858 2/20 0.36
NR2F2 P24468 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL4839137 0.88 LMNA (0.42) CNR1CDK1CNR2HTTNR2F2
SCHEMBL4146431 0.82 AHR (0.38) GAAALOX12SMN1; SMN2PAK1CNR1
SCHEMBL4148481 0.82 CDK1 (0.43) EGFRCDK1KDM4EMEN1KMT2A
SCHEMBL4844540 0.78 KMT2A (0.40) GAAALOX12SMN1; SMN2EPHX2GRM4
SCHEMBL4150728 0.76 KDM4E (0.40) SMN1; SMN2CNR1KDM4ECNR2HTT
SCHEMBL4150065 0.73 PAK4 (0.40) CNR1EGFRCNR2
SCHEMBL4149878 0.73 HPGD (0.39) SMN1; SMN2PAK1CNR1EGFRCNR2
SCHEMBL4841553 0.72 CNR1 (0.36) CNR1EGFRCDK1KDM4EHSD17B10
SCHEMBL8324092 0.72 CNR1 (0.36) CNR1EGFRCNR2
SCHEMBL13772343 0.72 PAK4 (0.38) PARP1CNR1EGFRCDK1CNR2

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-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 US 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-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 GAA 2024/4885ALOX12 1110/4885SMN1; SMN2 1424/4885

“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.