SCHEMBL2631600

SCHEMBL2631600

Cc1csc(NC(=O)I)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.64
RAB9A P51151 11/20 0.58
NPC1 O15118 9/20 0.58
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
POLB P06746 2/20 0.55
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 2/20 0.54
HTT P42858 2/20 0.54
TP53 P04637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
RCE1 Q9Y256 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PKM P14618 1/20 0.53
CNR2 P34972 1/20 0.53
MEN1 O00255 1/20 0.53
CASP3 P42574 1/20 0.53
KMT2A Q03164 1/20 0.53
SENP8 Q96LD8 1/20 0.53

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
SCHEMBL1691061 0.84 MAPT (0.68) MAPTRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL10816647 0.84 RAB9A (0.71) MAPTRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL48394 0.82 MAPT (0.66) MAPTRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL19994395 0.82 MAPT (0.66) MAPTRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL5630056 0.81 MAPT (0.64) MAPTRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL3699546 0.81 MAPT (0.64) MAPTRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL5335117 0.80 SMN1; SMN2 (0.61) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL10798732 0.79 MAPT (0.62) MAPTRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL19994399 0.79 SMN1; SMN2 (0.65) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL11225467 0.79 MAPT (0.62) MAPTRAB9ANPC1HPGDSMN1; 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 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 MAPT 4430/4885RAB9A 2759/4885NPC1 3105/4885

“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.