SCHEMBL2104696

SCHEMBL2104696

CC(c1cccc(F)c1)c1c[nH]cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.37
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
HSD11B1 P28845 1/20 0.33
AOC3 Q16853 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
EGFR P00533 1/20 0.33
CASR P41180 1/20 0.33
ACHE P22303 1/20 0.32
DYRK1A Q13627 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL3155425 0.88 CYP19A1 (0.31) CYP19A1HSD11B1
SCHEMBL2102395 0.81 CYP19A1 (0.43) CYP19A1IDO1TDO2AOC3
SCHEMBL8031476 0.80 IDO1 (0.40) CYP19A1HDAC4HDAC7HDAC5IDO1
SCHEMBL2104149 0.80 HTR2C (0.39)
SCHEMBL15330642 0.78 ALDH1A1 (0.34) EGFR
SCHEMBL13089060 0.77 CYP19A1 (0.42) CYP19A1IDO1
SCHEMBL2104753 0.76 CYP19A1 (0.41) CYP19A1IDO1
SCHEMBL13089158 0.76 SLC6A2 (0.45) CYP19A1IDO1TDO2
SCHEMBL792296 0.75 ACHE (0.48) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL7099092 0.75 MAPKAPK2 (0.42) EGFRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981880-B1 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2010-02-24 EP claimed
US-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US claimed
US-8158668-B2 Methods for treating CNS disorders with 4-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-17 US disclosed
EP-1981880-B1 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2010-02-24 EP disclosed
EP-1981880-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
US-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
WO-2007085556-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 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-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives CRY1, GPR119, MTNR1A CYP19A1 192/4885HDAC4 136/4885HDAC7 611/4885

“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.