SCHEMBL967734

SCHEMBL967734

O=C(O)NC1=Nc2cocc2CS1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
CYP1A2 P05177 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL5503543 0.69 CYP1A2 (0.69) POLBCYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL14058963 0.64 ALDH1A1 (0.38) POLBCYP1A2NPC1RAB9AKMT2A
SCHEMBL27554600 0.59
SCHEMBL1001732 0.55 HDAC2 (0.33) NPC1RAB9A
SCHEMBL6823115 0.53 RAB9A (0.34) POLBNPC1RAB9AKMT2AMEN1
SCHEMBL36897 0.50 ALDH1A1 (0.45) POLBCYP1A2SMN1; SMN2TP53
SCHEMBL190346 0.49
SCHEMBL11574505 0.49 ALDH1A1 (0.43) POLBCYP1A2SMN1; SMN2TP53
Hydrochloric Acid SCHEMBL11203129 0.49 ALDH1A1 (0.43) POLBCYP1A2KMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL7231265 0.49 ALDH1A1 (0.43) POLBCYP1A2KMT2AMEN1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120323001-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2012-12-20 US disclosed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 US disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 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 (2 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-20120323001-A1 BACE INHIBITORS BACE1, BACE2, APP POLB 349/4885CYP1A2 1227/4885NPC1 13/4885
US-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP POLB 349/4885CYP1A2 1227/4885NPC1 13/4885

“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.