SCHEMBL20148779

SCHEMBL20148779

CC(C)C(O)(c1ccccn1)c1ncccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP3A4 P08684 5/20 0.40
CYP17A1 P05093 2/20 0.40
AHR P35869 2/20 0.39
CHRM3 P20309 1/20 0.37
BLM P54132 2/20 0.36
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
PGR P06401 1/20 0.36
THRB P10828 1/20 0.36
ADRB3 P13945 1/20 0.36
OPRK1 P41145 1/20 0.36
PMP22 Q01453 1/20 0.36
KCNH2 Q12809 1/20 0.36
PDE3A Q14432 1/20 0.36
SLC47A1 Q96FL8 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL16132316 0.90 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1CYP3A4CYP17A1AHR
SCHEMBL16132367 0.84 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1CYP3A4CYP17A1AHR
SCHEMBL20148793 0.80 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1CYP3A4CYP17A1AHR
SCHEMBL20148788 0.80 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1CYP3A4CYP17A1AHR
SCHEMBL8341915 0.79 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1CYP3A4CYP17A1AHR
SCHEMBL16132423 0.78 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1CYP3A4CYP17A1AHR
SCHEMBL11680136 0.78 AHR (0.57) SMN1; SMN2L3MBTL1CYP3A4CYP17A1AHR
SCHEMBL20148780 0.77 KCNA5 (0.50) SMN1; SMN2L3MBTL1CYP3A4CYP17A1KCNH2
SCHEMBL20148783 0.77 ALOX5 (0.46) SMN1; SMN2L3MBTL1CYP3A4CYP17A1AHR
SCHEMBL12238622 0.77 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1CYP3A4CYP17A1AHR

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-20180133212-A1 COMBINATION OF A BCL-2 INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER GILEAD SCIENCES, INC. 2018-05-17 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-20180133212-A1 COMBINATION OF A BCL-2 INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER BCL2, BAK1, BRD4 SMN1; SMN2 3797/4885L3MBTL1 1270/4885CYP3A4 4630/4885

“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.