SCHEMBL5257682

SCHEMBL5257682

O=S(=O)(NCC1CCCN(Cc2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc2)C1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.61
▸ MEN1 O00255 4/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ CYP2D6 P10635 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ BCHE P06276 1/20 0.47
▸ CTSL P07711 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ CTSK P43235 1/20 0.45
▸ GBA1 P04062 1/20 0.44
▸ ACKR3 P25106 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44

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
SCHEMBL5259556 0.94 MEN1 (0.56) POLBMEN1KMT2ACYP2D6ALDH1A1
SCHEMBL5261825 0.89 POLB (0.64) POLBMEN1KMT2ACYP2D6ALDH1A1
SCHEMBL5256458 0.87 POLB (0.55) POLBMEN1KMT2ACYP2D6ALDH1A1
SCHEMBL5261688 0.87 POLB (0.51) POLBMEN1KMT2ACYP2D6ALDH1A1
SCHEMBL5255667 0.87 MEN1 (0.56) POLBMEN1KMT2ACYP2D6ALDH1A1
SCHEMBL5256254 0.85 POLB (0.57) POLBMEN1KMT2ACYP2D6ALDH1A1
SCHEMBL5333346 0.79 HTT (0.56) POLBMEN1KMT2AALDH1A1NPC1
SCHEMBL5261504 0.79 CCR3 (0.55) POLBMEN1KMT2ACYP2D6BCHE
SCHEMBL5258383 0.79 MEN1 (0.51) POLBMEN1KMT2ACYP2D6BCHE
SCHEMBL5258034 0.77 MEN1 (0.48) POLBMEN1KMT2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496896-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2007-10-31 — — EP claimed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 — — US claimed
US-20050222155-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2005-10-06 — — US claimed
EP-1496896-A1 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2005-01-19 — — EP claimed
WO-2003086394-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2003-10-23 — — WO claimed
EP-1496896-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2007-10-31 — — EP disclosed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 — — US disclosed
US-20050222155-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2005-10-06 — — US disclosed
EP-1496896-A1 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2005-01-19 — — EP disclosed
WO-2003086394-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2003-10-23 — — 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-20050222155-A1 Inhibitors of akt activity AKT1, AKT2, AKT3 POLB 2450/4885MEN1 2983/4885KMT2A 1352/4885

“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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