SCHEMBL5015693

SCHEMBL5015693

O=C(C1CCCCC1)C(Br)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
LMNA P02545 3/20 0.51
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.45
EPHX1 P07099 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
HTR1E P28566 1/20 0.41
S1PR3 Q99500 1/20 0.41
CHRM3 P20309 1/20 0.40
ADORA1 P30542 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL241642 0.91 CES2 (0.57) CES2CES1LMNARECQLMEN1
SCHEMBL27478303 0.80 LMNA (0.53) CES2CES1LMNACNR1CNR2
SCHEMBL2439080 0.79 FAAH (0.57) LMNACNR1CNR2HPGDRECQL
SCHEMBL27458434 0.75 CYP2D6 (0.49) CES2CES1LMNAKDM4EMEN1
SCHEMBL9019242 0.75 TSHR (0.61) LMNACNR1CNR2HPGDEPHX1
SCHEMBL11260910 0.73 CYP2D6 (0.48) LMNACNR1CNR2HPGDRECQL
SCHEMBL571476 0.73 NOTUM (0.39) CES2CES1KMT2A
SCHEMBL1155726 0.73 GAA (0.44) CNR1HPGDMEN1KMT2AMAPT
SCHEMBL5378919 0.72 LMNA (0.45) LMNACNR1CNR2HPGDRECQL
SCHEMBL5375422 0.72 LMNA (0.45) LMNACNR1CNR2HPGDRECQL

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-1773331-A1 IMIDAZOLE AND THIAZOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-04-18 EP claimed
WO-2006008556-A1 IMIDAZOLE AND THIAZOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2006-01-26 WO claimed
US-20080249146-A1 Imidazole and Thioazole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-10-09 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-20080249146-A1 Imidazole and Thioazole Derivatives as Antiviral Agents IRF3, HAVCR2, ZC3HAV1 CES2 1424/4885CES1 179/4885LMNA 4527/4885

“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.