SCHEMBL16805986

SCHEMBL16805986

COc1ccc(-c2ccccc2F)c(C)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.43
NFE2L2 Q16236 1/20 0.40
CD274 Q9NZQ7 2/20 0.39
ERN1 O75460 1/20 0.39
TUBB1 Q9H4B7 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
DUSP3 P51452 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.39
HTT P42858 2/20 0.39
HTR7 P34969 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A1 P04798 1/20 0.38

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
SCHEMBL18286699 0.77 ACHE (0.44) TUBB1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL22285911 0.77 CA12 (0.52) KCNN4NFE2L2ERN1ALDH1A1TDP1
SCHEMBL25565386 0.76 PTGS2 (0.33) TUBB1KDM4EMEN1MAPTKMT2A
SCHEMBL19077651 0.75 ACHE (0.48) KCNN4NFE2L2ERN1TUBB1ALDH1A1
SCHEMBL18339168 0.75 ERN1 (0.47) KCNN4NFE2L2ERN1TUBB1ALDH1A1
SCHEMBL8240850 0.74 TUBB1 (0.43) NFE2L2TUBB1ALDH1A1KDM4EMEN1
SCHEMBL15684607 0.74 TUBB1 (0.40) NFE2L2ERN1TUBB1ALDH1A1TDP1
SCHEMBL9107729 0.74 RAB9A (0.46) KCNN4NFE2L2ERN1TUBB1ALDH1A1
SCHEMBL30012355 0.73 ERN1 (0.46) KCNN4NFE2L2ERN1TUBB1ALDH1A1
SCHEMBL9106393 0.73 ERN1 (0.46) KCNN4NFE2L2ERN1TUBB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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 KCNN4 2422/4885NFE2L2 3128/4885CD274 1734/4885
US-10329287-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R KCNN4 2459/4885NFE2L2 2867/4885CD274 1880/4885
US-11040966-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R KCNN4 2459/4885NFE2L2 2867/4885CD274 1880/4885
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R KCNN4 2459/4885NFE2L2 2867/4885CD274 1880/4885
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R KCNN4 2459/4885NFE2L2 2867/4885CD274 1880/4885

“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.