SCHEMBL20004008

SCHEMBL20004008

Cc1ccc2nc(CC(C)c3ccc4ncsc4c3)sc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
NPC1 O15118 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
KLK7 P49862 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 3/20 0.40
SCN4A P35499 1/20 0.37
LMNA P02545 1/20 0.37
PFKFB3 Q16875 3/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
TGFBR1 P36897 1/20 0.36
ACP1 P24666 1/20 0.36
APP P05067 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL24840305 0.92 SMN1; SMN2 (0.39) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL19308856 0.90 NPC1 (0.48) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL19954923 0.83 NPC1 (0.40) RAB9ANPC1SMN1; SMN2ALDH1A1SCN4A
SCHEMBL21871342 0.81 RAB9A (0.43) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL20049378 0.77 RAB9A (0.54) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL24420726 0.76 SMN1; SMN2 (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL19966707 0.76 SMN1; SMN2 (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL26340292 0.76 OGA (0.36) SMN1; SMN2KDM4EALDH1A1OGA
SCHEMBL29870814 0.74 RAB9A (0.54) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL266440 0.74 RAB9A (0.54) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1

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-20180085386-A1 URIDINE MONOPHOSPHATE AND TRIPHOSPHATE DERIVATIVES, COMPOSITIONS AND METHODS OF USE TUFTS UNIVERSITY 2018-03-29 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-20180085386-A1 URIDINE MONOPHOSPHATE AND TRIPHOSPHATE DERIVATIVES, COMPOSITIONS AND METHODS OF USE P2RY6, UPP1, UMPS RAB9A 965/4885NPC1 1808/4885SMN1; SMN2 410/4885

“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.