SCHEMBL105158

SCHEMBL105158

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.68
NPC1 O15118 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
RAB9A P51151 2/20 0.68
NPSR1 Q6W5P4 1/20 0.68
ALDH1A1 P00352 4/20 0.58
MAPT P10636 4/20 0.58
HPGD P15428 2/20 0.58
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
GAA P10253 3/20 0.47
HSD17B10 Q99714 3/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMARCA2 P51531 1/20 0.47
SMARCA4 P51532 1/20 0.47
PBRM1 Q86U86 1/20 0.47
GLA P06280 1/20 0.45
CASP1 P29466 1/20 0.45

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
SCHEMBL103154 0.95 KDM4E (0.67) KDM4ENPC1SMN1; SMN2RAB9ANPSR1
SCHEMBL31615949 0.95 KDM4E (0.67) KDM4ENPC1SMN1; SMN2RAB9ANPSR1
SCHEMBL1482043 0.88 KMT2A (0.57) KDM4ENPC1SMN1; SMN2RAB9ANPSR1
SCHEMBL106277 0.87 KMT2A (0.50) KDM4ENPC1SMN1; SMN2RAB9ANPSR1
SCHEMBL4437631 0.83 L3MBTL1 (0.53) KDM4ENPC1SMN1; SMN2RAB9ANPSR1
SCHEMBL103584 0.83 KMT2A (0.47) KDM4ENPC1SMN1; SMN2RAB9ANPSR1
SCHEMBL105883 0.83 MAPT (0.56) KDM4ENPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL103583 0.83 KMT2A (0.47) KDM4ENPC1SMN1; SMN2RAB9ANPSR1
SCHEMBL7432215 0.83 KDM4E (0.97) KDM4ENPC1SMN1; SMN2RAB9ANPSR1
SCHEMBL161275 0.83 MEN1 (0.59) KDM4ENPC1SMN1; SMN2RAB9ANPSR1

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 KDM4E 3663/4885NPC1 163/4885SMN1; 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.