SCHEMBL14970871

SCHEMBL14970871

O=C(Nc1nnc(SCc2ccccc2F)s1)c1ccccc1F

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
NPC1 O15118 9/20 0.67
LMNA P02545 2/20 0.67
KDM4E B2RXH2 1/20 0.67
ALDH1A1 P00352 1/20 0.67
ABL1 P00519 4/20 0.60
SRC P12931 4/20 0.60
PTPN1 P18031 1/20 0.60
RXFP1 Q9HBX9 2/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL28972615 0.89 RAB9A (0.66) RAB9ASMN1; SMN2NPC1LMNAKDM4E
SCHEMBL28734870 0.81 RAB9A (0.56) RAB9ASMN1; SMN2NPC1LMNAKDM4E
SCHEMBL28734841 0.79 RAB9A (0.57) RAB9ASMN1; SMN2NPC1LMNAKDM4E
SCHEMBL28734871 0.78 LMNA (0.55) RAB9ASMN1; SMN2NPC1LMNAKDM4E
SCHEMBL28734855 0.78 ABL1 (0.52) RAB9ASMN1; SMN2NPC1LMNAKDM4E
SCHEMBL3467177 0.76 RAB9A (0.64) RAB9ASMN1; SMN2NPC1LMNAKDM4E
SCHEMBL28413055 0.76 RAB9A (0.67) RAB9ASMN1; SMN2NPC1ALDH1A1ABL1
SCHEMBL3901791 0.76 RAB9A (0.60) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL15045105 0.72 LMNA (0.69) RAB9ASMN1; SMN2NPC1LMNAKDM4E
SCHEMBL8779366 0.71 ABL1 (0.84) RAB9ASMN1; SMN2NPC1LMNAKDM4E

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 RAB9A 2645/4885SMN1; SMN2 2561/4885NPC1 498/4885

“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.