SCHEMBL23915322

SCHEMBL23915322

CC(C)(C)COc1cc(N)c(N)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
CD44 P16070 1/20 0.39
NUDT1 P36639 3/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
G6PD P11413 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAOA P21397 3/20 0.37
AAK1 Q2M2I8 3/20 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
SCHEMBL23915318 0.85 ALDH1A1 (0.43) GAANPC1CD44KDM4EMEN1
SCHEMBL23915315 0.81 MAPT (0.60) GAANPC1CD44KDM4EMEN1
SCHEMBL23914752 0.80 MAPT (0.44) MEN1ALDH1A1MAPTKMT2ALMNA
SCHEMBL11436726 0.78 MAPT (0.48) GAANPC1CD44KDM4EMEN1
SCHEMBL23966506 0.74 CSNK2A1 (0.54) GAANPC1CD44KDM4EMEN1
SCHEMBL23914672 0.73 GAA (0.49) GAANPC1CD44MEN1ALDH1A1
SCHEMBL13660655 0.73 TDP1 (0.51) NPC1ALDH1A1MAPTHSD17B10MAOA
SCHEMBL26930436 0.73 CYP1A2 (0.52) GAANPC1CD44KDM4EMEN1
SCHEMBL23915572 0.73 L3MBTL1 (0.53) GAANPC1CD44KDM4EMEN1
SCHEMBL1309822 0.73 ALDH1A1 (0.45) GAANPC1KDM4EMEN1USP2

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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 GAA 3652/4885NPC1 467/4885CD44 4393/4885

“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.