SCHEMBL105883

SCHEMBL105883

COC(=O)c1ccc(N2CCCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.56
GAA P10253 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
POLB P06746 1/20 0.55
ALDH1A1 P00352 8/20 0.54
CYP1A2 P05177 3/20 0.54
CYP2D6 P10635 3/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
LMNA P02545 3/20 0.53
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
CYP3A4 P08684 2/20 0.51
MAPK1 P28482 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
PKM P14618 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL102545 0.96 MAPT (0.60) MAPTGAASMN1; SMN2POLBALDH1A1
SCHEMBL31615706 0.96 MAPT (0.60) MAPTGAASMN1; SMN2POLBALDH1A1
SCHEMBL4436884 0.85 MEN1 (0.63) MAPTGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL161334 0.84 LMNA (0.69) MAPTGAASMN1; SMN2POLBALDH1A1
SCHEMBL30301745 0.84 LMNA (0.69) MAPTGAASMN1; SMN2POLBALDH1A1
SCHEMBL1482043 0.84 KMT2A (0.57) MAPTSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL195322 0.83 ALDH1A1 (0.70) MAPTGAASMN1; SMN2POLBALDH1A1
SCHEMBL105158 0.83 KDM4E (0.68) MAPTGAASMN1; SMN2POLBALDH1A1
SCHEMBL106277 0.83 KMT2A (0.50) MAPTSMN1; SMN2ALDH1A1CYP2C19KDM4E
SCHEMBL4589173 0.83 ALDH1A1 (0.57) MAPTGAASMN1; SMN2POLBALDH1A1

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 MAPT 2589/4885GAA 2147/4885SMN1; 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.