SCHEMBL9895018

SCHEMBL9895018

CC(=O)c1c(-c2ccccc2F)nnn1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
DHODH Q02127 2/20 0.37
DHFR P00374 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD11B1 P28845 1/20 0.37
KIF11 P52732 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
SCHEMBL9895453 0.84 DHFR (0.38) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL9895905 0.83 HSD11B1 (0.45) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL9894641 0.75 PTGS2 (0.41) MAPTALDH1A1SMN1; SMN2DHFRKDM4E
SCHEMBL2687426 0.74 DHODH (0.38) ALDH1A1DHODHKDM4EHPGDHSD17B10
SCHEMBL2688088 0.74 DHODH (0.38) ALDH1A1DHODHKDM4EHSD11B1TP53
SCHEMBL9895968 0.70 ALDH1A1 (0.42) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL461224 0.70 ALDH1A1 (0.43) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL16700712 0.69 L3MBTL1 (0.43) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL462903 0.68 HSD11B1 (0.45) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL9895828 0.68 HSD11B1 (0.41) MAPTALDH1A1RAB9ANPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649064-B1 NOVEL TRIAZOLE COMPOUNDS III HOFFMANN LA ROCHE (CH) 2019-10-02 EP disclosed
EP-2649064-A1 NOVEL TRIAZOLE COMPOUNDS III F. Hoffmann-La Roche AG (CH) 2013-10-16 EP disclosed
US-8466181-B2 1,2,3-triazole-imidazole compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-18 US disclosed
WO-2012076590-A1 NOVEL TRIAZOLE COMPOUNDS III F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO disclosed
US-20120149675-A1 1,2,3-TRIAZOLE-IMIDAZOLECOMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-14 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-20120149675-A1 1,2,3-TRIAZOLE-IMIDAZOLECOMPOUNDS GABRA5, GABRA1, GABRB1 MAPT 1958/4885ALDH1A1 258/4885RAB9A 1128/4885

“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.