SCHEMBL17490335

SCHEMBL17490335

CCC(=O)C(C)(O)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
BLM P54132 2/20 0.40
CYP2D6 P10635 1/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
PGR P06401 1/20 0.40
THRB P10828 1/20 0.40
ADRB3 P13945 1/20 0.40
OPRK1 P41145 1/20 0.40
PMP22 Q01453 1/20 0.40
KCNH2 Q12809 1/20 0.40
PDE3A Q14432 1/20 0.40
SLC47A1 Q96FL8 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40

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
SCHEMBL16132363 0.83 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1BLMCYP2D6SLC22A2
SCHEMBL1827357 0.80 L3MBTL1 (0.55) SMN1; SMN2L3MBTL1BLMCYP2D6SLC22A2
SCHEMBL16132480 0.79 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1BLMCYP2D6SLC22A2
Hydrochloric Acid SCHEMBL17102116 0.79 L3MBTL1 (0.53) SMN1; SMN2L3MBTL1BLMCYP2D6SLC22A2
SCHEMBL11001068 0.76 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1BLMCYP2D6TSHR
SCHEMBL23364963 0.74 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1BLMCYP2D6ALDH1A1
SCHEMBL30471943 0.74 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1BLMCYP2D6ALDH1A1
SCHEMBL29828412 0.74 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1BLMCYP2D6ALDH1A1
SCHEMBL17100482 0.74 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1BLMCYP2D6SLC22A2
SCHEMBL12717402 0.74 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1BLMCYP2D6ALDH1A1

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-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2016-02-04 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-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 SMN1; SMN2 3186/4885L3MBTL1 1346/4885BLM 1133/4885

“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.