SCHEMBL2631604

SCHEMBL2631604

Cc1nc(NC(=O)I)sc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.56
NPC1 O15118 10/20 0.56
SMN1; SMN2 Q16637 8/20 0.56
PKM P14618 2/20 0.56
MAPT P10636 6/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
POLB P06746 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ALDH1A1 P00352 3/20 0.49
NPSR1 Q6W5P4 2/20 0.46
GAA P10253 1/20 0.46
FFAR2 O15552 1/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
HTT P42858 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL16238270 0.83 RAB9A (0.64) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL10812910 0.83 RAB9A (0.68) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL155142 0.82 RAB9A (0.57) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL2837341 0.81 MAPT (0.55) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL27606981 0.80 RAB9A (0.56) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL11219074 0.78 RAB9A (0.58) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL12599387 0.77 LCK (0.54) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL11231406 0.77 RAB9A (0.57) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL11485186 0.77 RAB9A (0.53) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL2837345 0.77 MAPT (0.55) RAB9ANPC1SMN1; SMN2PKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094948-A1 Analogous Compounds of 6-Thioguanosine Triphosphate, their use in Medical Fields and Processes for their Preparation GIULIANI INTERNATIONAL LIMITED 2012-04-19 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 (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-20120094948-A1 Analogous Compounds of 6-Thioguanosine Triphosphate, their use in Medical Fields and Processes for their Preparation TPMT, MTAP, G6PD RAB9A 2759/4885NPC1 3105/4885SMN1; SMN2 2842/4885

“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.