SCHEMBL2884797

SCHEMBL2884797

Cc1ccc([C]2CC2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
BRD4 O60885 1/20 0.40
MCL1 Q07820 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR7 P34969 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 2/20 0.37
NOTUM Q6P988 1/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
PTGS2 P35354 2/20 0.35
ALPL P05186 1/20 0.35
CA9 Q16790 1/20 0.35
RAB9A P51151 1/20 0.35
PTGS1 P23219 1/20 0.34

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
SCHEMBL29702110 0.80 ALDH1A1 (0.55) ALDH1A1MCL1CYP3A4TSHRTDP1
SCHEMBL3084322 0.80 ALDH1A1 (0.55) ALDH1A1MCL1CYP3A4TSHRTDP1
SCHEMBL3022768 0.78 DAPK3 (0.45) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL28317072 0.78 CYP3A4 (0.70) ALDH1A1CYP3A4TSHRTDP1TP53
Water SCHEMBL9222873 0.77 ALDH1A1 (0.52) ALDH1A1MCL1CYP3A4TSHRTDP1
SCHEMBL5390940 0.77 ALDH1A1 (0.52) ALDH1A1MCL1CYP3A4TSHRTDP1
Lithium SCHEMBL30110458 0.77 ALDH1A1 (0.60) ALDH1A1MCL1CYP3A4TSHRTDP1
SCHEMBL8640758 0.77 HTR7 (0.41) BRD4HTR7NOTUMUSP2MAPT
SCHEMBL21709538 0.75 ALDH1A1 (0.50) ALDH1A1MCL1CYP3A4TSHRTDP1
Methoxymethane SCHEMBL29150576 0.72 ALDH1A1 (0.48) ALDH1A1MCL1CYP3A4TSHRTDP1

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-7803827-B2 1-N-amino-2-imidazolidinones and derivatives thereof which are effective as Kv1.5 potassium channel inhibitors providing atrial-selective antiarrhythmic agents; 1-(aminosulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-(3,4-dimethylphenyl)-2-imidazolidinone WYETH LLC (US) 2010-09-28 US disclosed
US-7504517-B2 Kv1.5 potassium channel inhibitors WYETH (US) 2009-03-17 US disclosed
US-20090069342-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2009-03-12 US disclosed
US-20070299120-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 US disclosed
US-5051447-A Applying aromatic oximes to plants, seeds or soils BASF AKTIENGESELLSCHAFT (DE) 1991-09-24 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 (2 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-20070299120-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNJ2, KCNK5, KCNH2 ALDH1A1 2088/4885BRD4 596/4885MCL1 1551/4885
US-20090069342-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNJ2, KCNK5, KCNH2 ALDH1A1 2088/4885BRD4 596/4885MCL1 1551/4885

“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.