SCHEMBL9895905

SCHEMBL9895905

CC(=O)c1c(-c2ccccc2Cl)nnn1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.45
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
TSHR P16473 1/20 0.38
KIF11 P52732 1/20 0.37

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
SCHEMBL9895828 0.84 HSD11B1 (0.41) HSD11B1DPP4DPP8KMT2ANPC1
SCHEMBL9895018 0.83 MAPT (0.39) HSD11B1KMT2ANPC1HPGDRAB9A
SCHEMBL12528323 0.72 PLA2G7 (0.44) HSD11B1KMT2AHSD17B10POLBMAPT
SCHEMBL461224 0.71 ALDH1A1 (0.43) HSD11B1KMT2ANPC1HPGDRAB9A
SCHEMBL9894641 0.70 PTGS2 (0.41) HPGDPOLBMAPTALDH1A1LMNA
SCHEMBL462903 0.69 HSD11B1 (0.45) HSD11B1KMT2ANPC1HPGDRAB9A
SCHEMBL2746118 0.68 KMT2A (0.40) KMT2AHSD17B10ALDH1A1LMNAMEN1
SCHEMBL18513099 0.68 HSP90AA1 (0.45) HSD11B1KMT2ANPC1HPGDRAB9A
SCHEMBL12528334 0.68 HIF1A (0.44) HSD11B1KMT2AHPGDPOLBMAPT
SCHEMBL9895975 0.67 HSD11B1 (0.40) HSD11B1DPP4DPP8NPC1RAB9A

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 HSD11B1 525/4885DPP4 2917/4885DPP8 3691/4885

“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.