SCHEMBL23915467

SCHEMBL23915467

CCOc1cc(N)c(N)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
HSD17B10 Q99714 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
HTR2A P28223 4/20 0.44
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
USP2 O75604 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL312741 0.82 AR (0.50) MAPTALDH1A1L3MBTL1HSD17B10KDM4E
SCHEMBL312761 0.80 MAPT (0.51) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL8503295 0.79 ALDH1A1 (0.58) MAPTALDH1A1L3MBTL1HSD17B10KDM4E
SCHEMBL12440410 0.78 MAPT (0.54) MAPTALDH1A1L3MBTL1HSD17B10KDM4E
SCHEMBL23326294 0.76 HTR2A (0.46) MAPTL3MBTL1HSD17B10HPGDHTR2A
SCHEMBL29775347 0.76 HTR2A (0.46) MAPTL3MBTL1HSD17B10HPGDHTR2A
SCHEMBL23915569 0.75 TRPA1 (0.41) MAPTALDH1A1L3MBTL1HSD17B10KDM4E
SCHEMBL1457586 0.74 MAPT (0.42) MAPTALDH1A1L3MBTL1HSD17B10KDM4E
SCHEMBL4230857 0.74 KMT2A (0.54) MAPTALDH1A1L3MBTL1HSD17B10KDM4E
SCHEMBL7028420 0.74 MAPT (0.64) MAPTALDH1A1L3MBTL1HSD17B10KDM4E

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 MAPT 4876/4885ALDH1A1 944/4885L3MBTL1 2938/4885

“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.