SCHEMBL22104615

SCHEMBL22104615

O=C(C1CC1)N1CCCc2ccc(N[SH](=O)=O)cc21

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.66
NPC1 O15118 1/20 0.66
BRD4 O60885 1/20 0.63
ATAD2 Q6PL18 1/20 0.63
OGG1 O15527 5/20 0.55
POLB P06746 1/20 0.52
SYK P43405 1/20 0.48
TSHR P16473 2/20 0.47
NR3C1 P04150 2/20 0.45
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL20733336 0.85 RAB9A (0.69) RAB9ANPC1BRD4ATAD2OGG1
SCHEMBL20733380 0.81 OGG1 (0.67) RAB9ANPC1BRD4ATAD2OGG1
SCHEMBL20733385 0.78 RAB9A (0.69) RAB9ANPC1BRD4ATAD2OGG1
SCHEMBL17117541 0.78 BRD4 (0.71) RAB9ANPC1BRD4ATAD2OGG1
SCHEMBL16771416 0.78 BRD4 (1.00) RAB9ANPC1BRD4ATAD2OGG1
SCHEMBL22104625 0.77 OGG1 (0.83) RAB9ANPC1BRD4ATAD2OGG1
SCHEMBL22104657 0.75 OGG1 (0.74) RAB9ANPC1BRD4ATAD2OGG1
SCHEMBL22104699 0.75 OGG1 (0.77) RAB9ANPC1BRD4ATAD2OGG1
SCHEMBL22104718 0.75 OGG1 (0.74) RAB9ANPC1BRD4ATAD2OGG1
SCHEMBL17005768 0.75 SYK (0.62) RAB9ANPC1BRD4ATAD2OGG1

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-20200190034-A1 Inhibitors of Base Excision Repair Activity and Therapeutic Methods Based Thereon THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-06-18 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-20200190034-A1 Inhibitors of Base Excision Repair Activity and Therapeutic Methods Based Thereon OGG1, UNG, MPG RAB9A 2658/4885NPC1 3192/4885BRD4 2493/4885

“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.