Sugi Predict

Sugi Predict / Compounds / SCHEMBL5345995

SCHEMBL5345995

SCHEMBL5345995

COc1ccccc1C(=O)NC(c1ccccc1)C1CCC(N2CCNC2=NC#N)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KCNA5 P22460 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ KCNK3 O14649 2/20 0.38
▸ MMP1 P03956 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ MMP7 P09237 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TTK P33981 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ INCENP Q9NQS7 1/20 0.36
▸ SMYD3 Q9H7B4 2/20 0.35
▸ OPRK1 P41145 1/20 0.35

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
SCHEMBL5352168 0.87 ALDH1A1 (0.48) ALDH1A1HPGDKCNA5MEN1KMT2A
SCHEMBL5364890 0.77 KCNA3 (0.56) ALDH1A1MEN1KMT2A
SCHEMBL5345991 0.77 KCNA3 (0.56) ALDH1A1MEN1KMT2A
SCHEMBL5346663 0.75 ALDH1A1 (0.47) ALDH1A1HPGDKCNA5MEN1KMT2A
SCHEMBL3455507 0.74 MEN1 (0.62) ALDH1A1HPGDKCNA5MEN1KMT2A
SCHEMBL14491514 0.73 PKM (0.40) ALDH1A1MEN1KMT2APKM
SCHEMBL14491521 0.73 PKM (0.40) ALDH1A1MEN1KMT2APKM
SCHEMBL6220580 0.72 ALDH1A1 (0.44) ALDH1A1HPGDKCNA5MEN1KMT2A
SCHEMBL6218371 0.72 ALDH1A1 (0.44) ALDH1A1HPGDKCNA5MEN1KMT2A
SCHEMBL2854756 0.72 KCNA5 (0.49) ALDH1A1HPGDKCNA5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 — — US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 — — US disclosed
US-20050234106-A1 Cycloalkyl inhibitors of potassium channel function LLOYD JOHN 2005-10-20 — — US disclosed
EP-1507504-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-23 — — EP disclosed
US-20040072880-A1 Cycloalkyl inhibitors of potassium channel function ICAGEN, INC. 2004-04-15 — — US disclosed
WO-2003063797-A2 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-08-07 — — 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 (3 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-20050234106-A1 Cycloalkyl inhibitors of potassium channel function KCNJ2, KCNN3, KCNQ5 ALDH1A1 4075/4885HPGD 3115/4885KCNA5 23/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 ALDH1A1 4075/4885HPGD 3115/4885KCNA5 23/4885
US-20040072880-A1 Cycloalkyl inhibitors of potassium channel function KCNN1, KCNN2, KCNH2 ALDH1A1 2859/4885HPGD 2708/4885KCNA5 17/4885

“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.