SCHEMBL4190146

SCHEMBL4190146

CC(O)c1cc(I)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.42
▸ GABRA1 P14867 2/20 0.39
▸ GABRB1 P18505 2/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ CYP3A4 P08684 5/20 0.34
▸ CYP2D6 P10635 4/20 0.34
▸ SLC6A2 P23975 4/20 0.34
▸ SLC6A4 P31645 4/20 0.34
▸ SLC6A3 Q01959 4/20 0.34
▸ KCNH2 Q12809 3/20 0.34
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31

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
SCHEMBL22097553 0.83 IDO1 (0.33) GABRA1GABRB1GABRB2CYP3A4CYP2D6
SCHEMBL12974095 0.83 GABRA1 (0.46) GABRA1GABRB1GABRB2CYP3A4SLC6A2
SCHEMBL27822371 0.79 GABRA1 (0.34) GABRA1GABRB1GABRB2CYP3A4CYP2D6
SCHEMBL1125463 0.78 TP53 (0.47) PDE2AGABRA1GABRB1CYP3A4KCNH2
SCHEMBL17946909 0.78 TP53 (0.47) PDE2AGABRA1GABRB1CYP3A4KCNH2
SCHEMBL30806659 0.78 TP53 (0.47) PDE2AGABRA1GABRB1CYP3A4KCNH2
SCHEMBL16618296 0.78 TP53 (0.47) PDE2AGABRA1GABRB1CYP3A4KCNH2
SCHEMBL3795214 0.78 IDO1 (0.34) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL23489650 0.77 PDE2A (0.47) PDE2ASLC6A4KCNH2ADRB2ADRB1
SCHEMBL17216071 0.77 PDE2A (0.47) PDE2ASLC6A4KCNH2ADRB2ADRB1

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-20090326029-A1 NON-CYCLIC SUBSTITUTED BENZIMIDAZOLE THIOPHENE BENZYL ETHER COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-12-31 — — US disclosed
US-20090326029-A1 NON-CYCLIC SUBSTITUTED BENZIMIDAZOLE THIOPHENE BENZYL ETHER COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-12-31 — — US disclosed
US-20090326029-A1 NON-CYCLIC SUBSTITUTED BENZIMIDAZOLE THIOPHENE BENZYL ETHER COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-12-31 — — US disclosed
EP-2032564-A2 SUBSTITUTED BENZIMIDAZOLE THIOPHENE BENZYL ETHER COMPOUNDS SmithKline Beecham Corporation (US) 2009-03-11 — — EP disclosed
WO-2007143506-A2 SUBSTITUTED BENZIMIDAZOLE THIOPHENE BENZYL ETHER COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-12-13 — — 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-20090326029-A1 NON-CYCLIC SUBSTITUTED BENZIMIDAZOLE THIOPHENE BENZYL ETHER COMPOUNDS CYP3A4, CYP2C8, ABCB1 PDE2A 947/4885GABRA1 1314/4885GABRB1 1101/4885

“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.

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