SCHEMBL106277

SCHEMBL106277

COC(=O)c1ccc(N2CCCN(C(=O)OC(C)(C)C)CC2)c(I)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
KDM4E B2RXH2 2/20 0.49
RAB9A P51151 2/20 0.49
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
NR1H2 P55055 1/20 0.43
CYP2C19 P33261 1/20 0.42
BACE1 P56817 2/20 0.42
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 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
SCHEMBL103892 0.95 SMN1; SMN2 (0.47) KMT2AMEN1SMN1; SMN2NPC1NPSR1
SCHEMBL1482043 0.90 KMT2A (0.57) KMT2AMEN1SMN1; SMN2NPC1NPSR1
SCHEMBL105158 0.87 KDM4E (0.68) KMT2AMEN1SMN1; SMN2NPC1NPSR1
SCHEMBL29902983 0.85 KMT2A (0.52) KMT2AMEN1SMN1; SMN2NPC1NPSR1
SCHEMBL10306695 0.85 KMT2A (0.52) KMT2AMEN1SMN1; SMN2NPC1NPSR1
SCHEMBL103583 0.83 KMT2A (0.47) KMT2AMEN1SMN1; SMN2NPC1NPSR1
SCHEMBL103584 0.83 KMT2A (0.47) KMT2AMEN1SMN1; SMN2NPC1NPSR1
SCHEMBL105883 0.83 MAPT (0.56) KMT2AMEN1SMN1; SMN2NPC1KDM4E
SCHEMBL64850 0.82 SMN1; SMN2 (0.57) KMT2AMEN1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL30414220 0.82 LMNA (0.49) KMT2AMEN1SMN1; SMN2NPC1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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 (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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 KMT2A 2327/4885MEN1 3479/4885SMN1; SMN2 3303/4885

“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.