SCHEMBL3974660

SCHEMBL3974660

O=C(OCCN(Cc1ccccc1)Cc1ccccc1)c1cn2c3c(cc(OCCN(Cc4ccccc4)Cc4ccccc4)cc3c1=O)CCC2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.37
MAOB P27338 4/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCHE P06276 2/20 0.35
ATM Q13315 1/20 0.34
MAOA P21397 3/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
STAT3 P40763 1/20 0.34
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33

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
SCHEMBL3978257 0.91 ACHE (0.38) ACHEMAOBTSHRALDH1A1KDM4E
SCHEMBL3978263 0.90 ACHE (0.37) ACHEMAOBTSHRALDH1A1KDM4E
SCHEMBL3975004 0.73 ALDH1A1 (0.51) MAOBTSHRALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL3977815 0.73 KDM4E (0.40) TSHRALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL3818994 0.69 PDE3B (0.40) TSHRKDM4ESTAT3
SCHEMBL3820626 0.68 PDE3B (0.39) TSHRKDM4ESTAT3
SCHEMBL11744513 0.68 ACHE (0.46) ACHETSHRALDH1A1KDM4ELMNA
SCHEMBL3816671 0.67 TDP1 (0.39) ALDH1A1KDM4ELMNASTAT3
SCHEMBL4186480 0.67 ALDH1A1 (0.49) MAOBTSHRALDH1A1KDM4ELMNA
SCHEMBL3811645 0.67 LMNA (0.49) ALDH1A1KDM4ELMNASTAT3

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-7569550-B2 14 and 15 membered ring compounds GLAXO GROUP LIMITED (GB) 2009-08-04 US disclosed
US-20070213283-A1 Macrolides substituted at the 4\"-position GLAXO GROUP LIMITED (GB) 2007-09-13 US disclosed
US-20070185117-A1 Novel 14 and 15 membrered ring compounds GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
EP-1628988-B1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LTD (GB) 2006-10-04 EP 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-20070185117-A1 Novel 14 and 15 membrered ring compounds CYP51A1, LSS, IL17A ACHE 4374/4885MAOB 3274/4885TSHR 3662/4885
US-20070213283-A1 Macrolides substituted at the 4\"-position IL4, CYP51A1, IL17A ACHE 4090/4885MAOB 2199/4885TSHR 2015/4885

“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.