SCHEMBL103095

SCHEMBL103095

COC(=O)c1ccc(N2CCN(Cc3ccccc3)C(C)C2)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.59
GAA P10253 1/20 0.59
ALDH1A1 P00352 6/20 0.58
HPGD P15428 2/20 0.58
KDM4E B2RXH2 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 4/20 0.53
POLB P06746 2/20 0.50
MAPK1 P28482 2/20 0.47
CFTR P13569 1/20 0.47
HTT P42858 1/20 0.46
GFER P55789 1/20 0.46
SLC12A2 P55011 1/20 0.46
SLC12A5 Q9H2X9 1/20 0.46

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
SCHEMBL103094 1.00 MAPT (0.59) MAPTGAAALDH1A1HPGDKDM4E
SCHEMBL104532 0.84 NPC1 (0.46) MAPTALDH1A1HPGDKDM4ECYP1A2
SCHEMBL104531 0.84 NPC1 (0.46) MAPTALDH1A1HPGDKDM4ECYP1A2
SCHEMBL106732 0.84 NPC1 (0.62) MAPTGAAALDH1A1HPGDKDM4E
SCHEMBL106733 0.84 NPC1 (0.62) MAPTGAAALDH1A1HPGDKDM4E
SCHEMBL28028679 0.83 ALDH1A1 (0.48) MAPTGAAALDH1A1HPGDKDM4E
SCHEMBL104179 0.82 NPC1 (0.43) MAPTALDH1A1HPGDKDM4ECYP1A2
SCHEMBL104178 0.82 NPC1 (0.43) MAPTALDH1A1HPGDKDM4ECYP1A2
SCHEMBL104180 0.82 NPC1 (0.43) MAPTALDH1A1HPGDKDM4ECYP1A2
SCHEMBL14633480 0.76 MAPT (0.69) MAPTGAAALDH1A1HPGDKDM4E

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 2147/4885ALDH1A1 4311/4885

“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.