SCHEMBL3744440

SCHEMBL3744440

CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(I)ccc2O)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.51
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PDK1 Q15118 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ PDK3 Q15120 1/20 0.42
▸ PDK4 Q16654 1/20 0.42
▸ SMARCA2 P51531 1/20 0.42
▸ SMARCA4 P51532 1/20 0.42
▸ PBRM1 Q86U86 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ STS P08842 1/20 0.42
▸ PARP1 P09874 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SCD5 Q86SK9 1/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ SETD7 Q8WTS6 1/20 0.41
▸ GPR119 Q8TDV5 2/20 0.41

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
SCHEMBL29613213 0.82 POLB (0.49) POLBMEN1KMT2ASTSALDH1A1
SCHEMBL16864513 0.82 POLB (0.52) POLBMEN1KMT2APDK1PDK2
SCHEMBL3726824 0.81 PDE4D (0.46) POLBMEN1KMT2AGPR119TP53
SCHEMBL2365799 0.79 KMT2A (0.68) POLBMEN1KMT2ASTSALDH1A1
SCHEMBL4713574 0.79 HSP90AA1 (0.43) MEN1KMT2AALDH1A1USP2
SCHEMBL20687092 0.77 HSP90AA1 (0.66) POLBMEN1KMT2AGPR119
SCHEMBL3301081 0.77 CRBN (0.55) POLBMEN1KMT2APARP1ALDH1A1
SCHEMBL13872064 0.77 POLB (0.68) POLBMEN1KMT2APARP1ALDH1A1
SCHEMBL10424635 0.77 HSP90AA1 (0.55) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL17572153 0.76 POLB (0.51) POLBMEN1KMT2APDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825120-B2 Certain substituted ((piperazin-1-ylmethyl)benzyl)ureas CYTOKINETICS, INC. (US) 2010-11-02 — — US disclosed
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2009-10-01 — — US disclosed
EP-1959963-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 — — EP disclosed
EP-1959947-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 — — EP disclosed
US-20070197505-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 — — US disclosed
US-20070197504-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 — — US disclosed
WO-2007089336-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-08-09 — — WO disclosed
WO-2007075377-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-07-05 — — 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-20070197505-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 POLB 2656/4885MEN1 4493/4885KMT2A 4149/4885
US-20070197504-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 POLB 4326/4885MEN1 4319/4885KMT2A 4052/4885
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 POLB 2656/4885MEN1 4493/4885KMT2A 4149/4885

“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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