SCHEMBL3176010

SCHEMBL3176010

C=CCCNC(=O)CCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
ABCC4 O15439 1/20 0.47
PHF8 Q9UPP1 4/20 0.43
KDM2A Q9Y2K7 4/20 0.43
KDM4E B2RXH2 3/20 0.43
KDM5C P41229 3/20 0.43
EGLN1 Q9GZT9 3/20 0.43
KDM6B O15054 1/20 0.43
FOLH1 Q04609 1/20 0.43
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ECE1 P42892 1/20 0.41
EPHX2 P34913 2/20 0.40
FAAH O00519 2/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL22856074 0.85 MAPT (0.46) MAPTABCC4TSHRSMN1; SMN2FAAH
SCHEMBL1472410 0.83 ECE1 (0.50) MAPTABCC4KDM4ETSHRSMN1; SMN2
SCHEMBL13938722 0.82 MAPT (0.48) MAPTABCC4TSHRSMN1; SMN2FAAH
SCHEMBL6810784 0.82 PHF8 (0.60) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL10005868 0.80 MAPT (0.53) MAPTABCC4KDM4ETSHRSMN1; SMN2
SCHEMBL12240644 0.79 CASP2 (0.53) MAPTTSHRSMN1; SMN2EPHX2FAAH
SCHEMBL13687562 0.79 PHF8 (0.43) MAPTPHF8KDM2AKDM4EKDM5C
SCHEMBL26302363 0.79 ALDH1A1 (0.48) MAPTPHF8KDM2AKDM4EKDM5C
SCHEMBL10005869 0.79 MAPT (0.57) MAPTABCC4KDM4ETSHRSMN1; SMN2
SCHEMBL3459599 0.78 SMN1; SMN2 (0.68) MAPTABCC4PHF8KDM2AKDM4E

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-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof NOVARTIS AG 2010-01-28 US disclosed
US-7612055-B2 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2009-11-03 US disclosed
US-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2007-03-29 US disclosed
EP-1682521-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF Novartis AG (CH) 2006-07-26 EP disclosed
WO-2005049585-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF NOVARTIS AG (CH) 2005-06-02 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 (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-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof RPS11, MRPL21, RPS4Y1 MAPT 3352/4885ABCC4 978/4885PHF8 3605/4885
US-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof RPS11, MRPL21, RPS4Y1 MAPT 3352/4885ABCC4 978/4885PHF8 3605/4885

“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.