SCHEMBL3291974

SCHEMBL3291974

O=c1cc(O)c2ccccc2n1CCCCCl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.72
KDM4E B2RXH2 7/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MAPT P10636 2/20 0.62
FABP4 P15090 2/20 0.44
FABP5 Q01469 2/20 0.44
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CNR2 P34972 1/20 0.43
HTT P42858 2/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HDAC1 Q13547 3/20 0.41

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
SCHEMBL11826856 0.89 ALDH1A1 (0.68) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL30197876 0.84 ALDH1A1 (0.89) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9254043 0.84 ALDH1A1 (0.89) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9262842 0.84 ALDH1A1 (0.89) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1790843 0.84 ALDH1A1 (1.00) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL11828707 0.81 ALDH1A1 (0.70) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL7462175 0.80 ALDH1A1 (0.83) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL29179745 0.78 SLC6A4 (0.59) ALDH1A1SMN1; SMN2MAPTFABP4FABP5
SCHEMBL9158043 0.78 MEN1 (0.64) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL11826437 0.78 KDM4E (0.72) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2

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-7723384-B2 Keto lactam compounds and use thereof ABBOTT GMBH & CO. KG. (DE) 2010-05-25 US disclosed
EP-1692129-B1 KETO LACTAM COMPOUNDS AND USE THEREOF ABBOTT GMBH & CO KG (DE) 2008-08-20 EP disclosed
US-20070219182-A1 Keto Lactam Compounds and Use Thereof ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2007-09-20 US disclosed
EP-1692129-A1 KETO LACTAM COMPOUNDS AND USE THEREOF Abbott GmbH & Co. KG (DE) 2006-08-23 EP disclosed
WO-2005056546-A1 KETO LACTAM COMPOUNDS AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2005-06-23 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-20070219182-A1 Keto Lactam Compounds and Use Thereof OPRD1, DRD3, OPRK1 ALDH1A1 2723/4885KDM4E 2211/4885MEN1 3807/4885

“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.