SCHEMBL5198358

SCHEMBL5198358

CCn1c(C(OCCO)(c2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)nc(-c2ccncc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.35
TEK Q02763 1/20 0.35
ACSS2 Q9NR19 2/20 0.35
CYP19A1 P11511 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SCN9A Q15858 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
BRAF P15056 1/20 0.33
P2RX3 P56373 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
GCGR P47871 1/20 0.33

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
SCHEMBL5199376 0.85 CYP19A1 (0.45) MAPK14ACSS2CYP19A1TP53MAPT
SCHEMBL5184902 0.75 CYP19A1 (0.43) MAPK14ACSS2CYP19A1GCGR
SCHEMBL5194344 0.74 ACSS2 (0.53) ACSS2
SCHEMBL5199032 0.72 GCGR (0.43) MAPK14TEKCNR1LMNAMAPT
SCHEMBL5199146 0.72 MAPK14 (0.40) MAPK14TEKCYP19A1CNR1GCGR
SCHEMBL5194709 0.71 TEK (0.39) MAPK14TEKCNR1NR1H2NR1H3
SCHEMBL5197480 0.70 MAPK14 (0.38) MAPK14TEKCNR1GCGR
SCHEMBL5184567 0.69 NPSR1 (0.39) MAPK14ACSS2CYP19A1LMNAGCGR
SCHEMBL5199024 0.69 MAPK14 (0.44) MAPK14TEKCNR1LMNAGCGR
SCHEMBL5199808 0.69 OPRL1 (0.38) MAPK14CNR1GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846389-A1 IMIDAZOLE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-10-24 EP disclosed
WO-2006082002-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
US-20060173048-A1 Imidazole derivatives F. HOFFMAN-LA ROCHE AG (CH) 2006-08-03 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-20060173048-A1 Imidazole derivatives GRM2, GRM1, GRIN2C MAPK14 2620/4885TEK 3703/4885ACSS2 1994/4885

“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.