SCHEMBL16809158

SCHEMBL16809158

Cc1cc(C(F)(F)F)ccc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.55
KIF11 P52732 1/20 0.54
BACE1 P56817 2/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.46
GPR3 P46089 1/20 0.46
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
FABP4 P15090 1/20 0.43
NPBWR1 P48145 1/20 0.42
TACR1 P25103 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.42

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
SCHEMBL18025753 0.86 KIF11 (0.52) KIF11BACE1PTGDR2GPR3MAPT
SCHEMBL10078969 0.84 NPBWR1 (0.47) KIF11MAPTSLC1A3SLC1A2SLC1A1
SCHEMBL27781322 0.83 KIF11 (0.58) KIF11BACE1PTGDR2GPR3ALDH1A1
SCHEMBL30023096 0.83 KIF11 (0.58) KIF11BACE1PTGDR2GPR3ALDH1A1
SCHEMBL21131180 0.83 CYP1A2 (0.47) KIF11PTGDR2GPR3MAPT
SCHEMBL14666775 0.82 KIF11 (0.44) KIF11MAPTTSHRSLC1A3SLC1A2
SCHEMBL14113002 0.82 PPARA (0.45) KIF11MAPTSLC1A3SLC1A2SLC1A1
SCHEMBL25779918 0.82 CYP1A2 (0.49) ESR2KIF11BACE1PTGDR2
SCHEMBL5058197 0.82 KIF11 (0.52) KIF11BACE1PTGDR2GPR3MAPT
SCHEMBL26375358 0.82 PDE3B (0.44) KIF11SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115433076-A Method for preparing aromatic acid by metal-free photocatalytic oxidation 浙江工业大学 2022-12-06 CN disclosed
US-11040966-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2021-06-22 US disclosed
WO-2020007964-A1 2-(2-AZABICYCLO[3.1.0]HEXAN-1-YL)-1H-BENZIMIDAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2020-01-09 WO disclosed
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-08-29 US disclosed
US-10329287-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-25 US disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 US disclosed
US-9732075-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-15 US disclosed
EP-2855453-B1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-12-07 EP disclosed
US-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-18 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 (5 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-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R ESR2 1125/4885KIF11 4414/4885BACE1 555/4885
US-10329287-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R ESR2 921/4885KIF11 4434/4885BACE1 600/4885
US-11040966-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R ESR2 921/4885KIF11 4434/4885BACE1 600/4885
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R ESR2 921/4885KIF11 4434/4885BACE1 600/4885
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R ESR2 921/4885KIF11 4434/4885BACE1 600/4885

“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.