SCHEMBL4840129

SCHEMBL4840129

CC(C)C(C)(C)[SiH2]OCc1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.53
HTR2A P28223 2/20 0.51
HTR2B P41595 2/20 0.51
HTR2C P28335 1/20 0.51
MAOB P27338 7/20 0.46
MAPT P10636 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
LMNA P02545 1/20 0.46
ADRA2C P18825 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
DRD3 P35462 1/20 0.46
OPRK1 P41145 1/20 0.46
TAAR1 Q96RJ0 1/20 0.43
NR4A2 P43354 2/20 0.42
PRKCA P17252 1/20 0.42
PRKCD Q05655 1/20 0.42
EPHX1 P07099 1/20 0.42
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL10819598 0.75 IDO1 (0.62) IDO1HTR2AHTR2BHTR2CMAOB
SCHEMBL19240349 0.73 IDO1 (0.64) IDO1HTR2AHTR2BHTR2CMAOB
SCHEMBL171782 0.73 IDO1 (0.68) IDO1HTR2AHTR2BHTR2CMAOB
SCHEMBL13676861 0.73 IDO1 (0.58) IDO1HTR2AHTR2BHTR2CMAOB
SCHEMBL17216165 0.72 IDO1 (0.54) IDO1HTR2AHTR2BHTR2CMAOB
SCHEMBL17216162 0.72 IDO1 (0.54) IDO1HTR2AHTR2BHTR2CMAOB
SCHEMBL27708411 0.72 IDO1 (0.72) IDO1HTR2AHTR2BHTR2CMAOB
SCHEMBL28267284 0.71 IDO1 (0.70) IDO1HTR2AHTR2BHTR2CMAOB
SCHEMBL6310724 0.71 PRKCA (0.60) IDO1HTR2AHTR2BHTR2CMAOB
SCHEMBL13677237 0.70 IDO1 (0.64) IDO1HTR2AHTR2BHTR2CMAOB

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
US-7320995-B2 Benzimidazoles and benzothiazoles as inhibitors of map kinase ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1554272-B1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE LILLY CO ELI (US) 2006-10-25 EP disclosed
US-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase EIL LILLY AND COMPANY (US) 2005-12-08 US disclosed
EP-1554272-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2005-07-20 EP disclosed
WO-2004014900-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2004-02-19 WO 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-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase MAP3K8, MAPK8, MAPK1 IDO1 1828/4885HTR2A 4495/4885HTR2B 4869/4885

“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.