SCHEMBL23914672

SCHEMBL23914672

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAOA P21397 3/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
NPC1 O15118 1/20 0.42
KDM1A O60341 1/20 0.42
TLR8 Q9NR97 1/20 0.41
CD44 P16070 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
XDH P47989 2/20 0.37
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
CSNK2A1 P68400 1/20 0.35

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
SCHEMBL25659027 0.91 NPC1 (0.55) GAAALDH1A1TSHRTDP1L3MBTL1
SCHEMBL10423854 0.91 TSHR (0.47) GAAALDH1A1TSHRTDP1L3MBTL1
SCHEMBL8876498 0.86 GAA (0.44) GAAALDH1A1TSHRTDP1L3MBTL1
SCHEMBL3168643 0.86 GAA (0.44) GAAALDH1A1TSHRTDP1L3MBTL1
SCHEMBL23915317 0.81 MAOA (0.40) GAAALDH1A1TSHRTDP1L3MBTL1
SCHEMBL23914966 0.80 MAPT (0.44) GAAALDH1A1TSHRTDP1L3MBTL1
SCHEMBL17366264 0.78 ALDH1A1 (0.69) GAAALDH1A1TSHRTDP1L3MBTL1
SCHEMBL11436726 0.78 MAPT (0.48) GAAALDH1A1L3MBTL1MAOALMNA
SCHEMBL19120546 0.76 MAPT (0.56) GAAALDH1A1TSHRTDP1L3MBTL1
SCHEMBL29281962 0.75 ALDH1A1 (0.55) GAAALDH1A1L3MBTL1KDM1ATLR8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
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 3652/4885ALDH1A1 944/4885TSHR 588/4885

“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.