SCHEMBL20148783

SCHEMBL20148783

CC(C)C(O)(c1ccccn1)c1nccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NR1H2 P55055 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP17A1 P05093 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 3/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.34
METAP2 P50579 1/20 0.34
RAB9A P51151 1/20 0.34
METAP1 P53582 1/20 0.34
AHR P35869 1/20 0.34
PDE10A Q9Y233 1/20 0.33
TSHR P16473 2/20 0.33
CHRM3 P20309 1/20 0.33
ADORA1 P30542 1/20 0.33
SLC22A2 O15244 1/20 0.32

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
SCHEMBL19013954 0.82 ALOX5 (0.46) ALOX5SMN1; SMN2NR1H2LMNAHSD17B10
SCHEMBL16132316 0.82 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1CYP3A4CYP17A1MEN1
SCHEMBL8611773 0.80 SMN1; SMN2 (0.48) ALOX5SMN1; SMN2L3MBTL1NR1H2MEN1
SCHEMBL20148779 0.77 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1CYP3A4CYP17A1MEN1
SCHEMBL16230722 0.77 NR1H2 (0.47) ALOX5SMN1; SMN2L3MBTL1NR1H2MEN1
SCHEMBL2037282 0.76 ALOX5 (0.48) ALOX5SMN1; SMN2L3MBTL1NR1H2MEN1
SCHEMBL16132367 0.76 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1CYP3A4CYP17A1MEN1
SCHEMBL20148788 0.72 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1CYP3A4CYP17A1RAB9A
SCHEMBL20148793 0.72 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1CYP3A4CYP17A1MEN1
SCHEMBL11633055 0.72 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1NR1H2CYP3A4MEN1

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 ALOX5 4211/4885SMN1; SMN2 3797/4885L3MBTL1 1270/4885

“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.