SCHEMBL102545

SCHEMBL102545

COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.60
GAA P10253 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
POLB P06746 1/20 0.58
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
CYP2C19 P33261 1/20 0.57
LMNA P02545 3/20 0.56
MAPK1 P28482 2/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
GFER P55789 1/20 0.52
HSP90AA1 P07900 1/20 0.52
WDR5 P61964 1/20 0.52
RECQL P46063 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
SCHEMBL31615706 1.00 MAPT (0.60) MAPTGAASMN1; SMN2POLBALDH1A1
SCHEMBL105883 0.96 MAPT (0.56) MAPTGAASMN1; SMN2POLBALDH1A1
SCHEMBL4436884 0.89 MEN1 (0.63) MAPTGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL4439503 0.85 LMNA (0.58) MAPTGAASMN1; SMN2POLBALDH1A1
SCHEMBL4432015 0.85 MAPT (0.53) MAPTGAASMN1; SMN2POLBALDH1A1
SCHEMBL102309 0.85 MEN1 (0.48) MAPTGAASMN1; SMN2POLBALDH1A1
SCHEMBL27868027 0.84 MAPT (0.60) MAPTGAASMN1; SMN2POLBALDH1A1
SCHEMBL4435995 0.84 MAPT (0.70) MAPTGAASMN1; SMN2ALDH1A1HPGD
SCHEMBL29114204 0.84 MAPT (0.47) MAPTGAASMN1; SMN2POLBALDH1A1
SCHEMBL4434853 0.84 MAPT (0.60) MAPTGAASMN1; SMN2ALDH1A1CYP2C9

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 5 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
WO-2012176123-A1 3 - IMIDAZOLYL- INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2012-12-27 WO 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.