SCHEMBL14970873

SCHEMBL14970873

CN(C)CCNC(=O)c1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MOK Q9UQ07 2/20 0.80
TACR3 P29371 2/20 0.67
HTT P42858 1/20 0.64
ALDH1A1 P00352 3/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
MEN1 O00255 1/20 0.63
CACNA1B Q00975 1/20 0.63
APBA1 Q02410 1/20 0.63
KMT2A Q03164 1/20 0.63
TP53 P04637 3/20 0.62
SLC2A1 P11166 1/20 0.60
CYP3A4 P08684 2/20 0.60
KDM4E B2RXH2 2/20 0.60
ACP1 P24666 1/20 0.60
MAPT P10636 1/20 0.59
LMNA P02545 1/20 0.59
RECQL P46063 1/20 0.59

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
SCHEMBL23722872 0.93 HTT (0.75) MOKTACR3HTTALDH1A1MEN1
SCHEMBL23722878 0.92 MOK (0.76) MOKTACR3HTTALDH1A1SMN1; SMN2
SCHEMBL19475306 0.89 MOK (1.00) MOKALDH1A1MEN1KMT2ACYP3A4
SCHEMBL23722912 0.89 MOK (0.68) MOKTACR3HTTALDH1A1SMN1; SMN2
SCHEMBL23722876 0.88 KDM4E (0.72) MOKTACR3HTTALDH1A1SMN1; SMN2
SCHEMBL23722836 0.88 MOK (0.64) MOKTACR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL23723077 0.88 MOK (0.64) MOKTACR3HTTALDH1A1SMN1; SMN2
SCHEMBL24449147 0.87 MOK (0.66) MOKTACR3HTTALDH1A1SMN1; SMN2
SCHEMBL23722922 0.86 MOK (0.65) MOKTACR3HTTALDH1A1SMN1; SMN2
SCHEMBL23746385 0.86 MOK (0.65) MOKTACR3HTTALDH1A1SMN1; 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-20210244721-A1 SMALL MOLECULE ENTEROVIRUS INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-12 US disclosed
US-20210244721-A1 SMALL MOLECULE ENTEROVIRUS INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-12 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
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 (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-20210244721-A1 SMALL MOLECULE ENTEROVIRUS INHIBITORS AND USES THEREOF AR, KLK3, BRDT MOK 4545/4885TACR3 447/4885HTT 2642/4885
US-20140275224-A1 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION CDA, DCTD, ADA MOK 4872/4885TACR3 2963/4885HTT 1221/4885

“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.