SCHEMBL13097546

SCHEMBL13097546

CCNCCCCNC/C=C/CNCCCCNCCO

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.79
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 1/20 0.52
MEN1 O00255 1/20 0.48
GLA P06280 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 2/20 0.41
SAT1 P21673 3/20 0.39
ALDH1A1 P00352 4/20 0.37
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL13097547 1.00 KDM1A (0.79) KDM1ACYP2C19CYP1A2MEN1GLA
SCHEMBL12951513 0.89 KDM1A (1.00) KDM1ACYP2C19CYP1A2MEN1GLA
SCHEMBL14876581 0.89 KDM1A (1.00) KDM1ACYP2C19CYP1A2MEN1GLA
SCHEMBL14876580 0.89 KDM1A (1.00) KDM1ACYP2C19CYP1A2MEN1GLA
SCHEMBL12951514 0.87 KDM1A (0.95) KDM1ACYP2C19CYP1A2MEN1GLA
SCHEMBL12951422 0.87 KDM1A (0.95) KDM1ACYP2C19CYP1A2MEN1GLA
SCHEMBL13097481 0.87 KDM1A (0.95) KDM1ACYP2C19CYP1A2MEN1GLA
SCHEMBL12085577 0.87 KDM1A (0.95) KDM1ACYP2C19CYP1A2MEN1GLA
SCHEMBL12951475 0.87 CYP2C19 (0.68) KDM1ACYP2C19CYP1A2MEN1GLA
SCHEMBL14377823 0.85 KDM1A (0.75) KDM1ACYP2C19CYP1A2MEN1GLA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653238-B2 Compositions and methods for transport of molecules with enhanced release properties across biological barriers THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-02-18 US disclosed
US-20100255499-A1 COMPOSITIONS AND METHODS FOR TRANSPORT OF MOLECULES WITH ENHANCED RELEASE PROPERTIES ACROSS BIOLOGICAL BARRIERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-10-07 US disclosed
US-20090143456-A1 Polyamine Analogs as Modulators of Cell Migration and Cell Motility PROGEN PHARMACEUTICALS, INC. 2009-06-04 US disclosed
US-20070232677-A1 Treatment and prevention of vascular hyperplasia using polyamine and polyamine analog compounds CELLGATE, INC. 2007-10-04 US disclosed
US-20070161692-A1 Conformationally restricted polyamine analogs as disease therapies CELLGATE, INC. (US) 2007-07-12 US disclosed
US-7186825-B2 Conformationally restricted polyamine analogs as disease therapies CELLGATE, INC. (US) 2007-03-06 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 (4 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-20070232677-A1 Treatment and prevention of vascular hyperplasia using polyamine and polyamine analog compounds SRM, SMS, PCNA KDM1A 777/4885CYP2C19 4775/4885CYP1A2 4812/4885
US-20070161692-A1 Conformationally restricted polyamine analogs as disease therapies SRM, PYCR1, PAICS KDM1A 546/4885CYP2C19 3757/4885CYP1A2 4456/4885
US-20090143456-A1 Polyamine Analogs as Modulators of Cell Migration and Cell Motility SRM, MIF, PTGIS KDM1A 3167/4885CYP2C19 4180/4885CYP1A2 4612/4885
US-20100255499-A1 COMPOSITIONS AND METHODS FOR TRANSPORT OF MOLECULES WITH ENHANCED RELEASE PROPERTIES ACROSS BIOLOGICAL BARRIERS SLC2A9, SLC43A1, SLC2A8 KDM1A 4561/4885CYP2C19 4027/4885CYP1A2 4472/4885

“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.