SCHEMBL14970878

SCHEMBL14970878

O=C(NC1CCCCCC1)c1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
ALDH1A1 P00352 1/20 0.75
LMNA P02545 1/20 0.75
KMT2A Q03164 4/20 0.72
GAA P10253 2/20 0.72
KLK7 P49862 1/20 0.70
RAB9A P51151 2/20 0.70
RXFP1 Q9HBX9 2/20 0.67
MAPT P10636 1/20 0.67
MEN1 O00255 2/20 0.66
USP30 Q70CQ3 2/20 0.65
GLA P06280 1/20 0.63
PKM P14618 1/20 0.63
APEX1 P27695 1/20 0.63
RECQL P46063 1/20 0.63
BLM P54132 1/20 0.63
MCL1 Q07820 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
TP53 P04637 1/20 0.61

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
SCHEMBL29547423 0.87 KMT2A (0.66) KDM4ESMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL23722851 0.85 KDM4E (0.67) KDM4ESMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL12218347 0.85 RAB9A (0.92) KDM4ESMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL23722866 0.83 KDM4E (0.67) KDM4ESMN1; SMN2LMNAKMT2AKLK7
SCHEMBL29578969 0.81 KMT2A (0.73) KDM4ESMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL29779110 0.79 USP30 (1.00) KDM4ESMN1; SMN2KMT2AKLK7USP30
SCHEMBL18115676 0.79 USP30 (1.00) KDM4ESMN1; SMN2KMT2AKLK7USP30
SCHEMBL6456853 0.79 KLK7 (0.62) KDM4ESMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL13792873 0.79 MCHR1 (0.71) KDM4ESMN1; SMN2KMT2AKLK7RAB9A
SCHEMBL6456858 0.79 KLK7 (0.62) KDM4ESMN1; SMN2ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275224-A1 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-09-18 US disclosed
US-20140275224-A1 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-09-18 US disclosed
WO-2013074059-A2 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-05-23 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-20140275224-A1 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION CDA, DCTD, ADA KDM4E 1984/4885SMN1; SMN2 2561/4885ALDH1A1 2191/4885

“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.