SCHEMBL6559583

SCHEMBL6559583

CC(C)(C)NC(=O)ON1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 2/20 0.34
KDM4E B2RXH2 4/20 0.34
RAB9A P51151 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 2/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
GAA P10253 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL6559617 0.98 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1LMNAKDM4ERAB9A
SCHEMBL28926051 0.82 SIGMAR1 (0.36) SMN1; SMN2ALDH1A1LMNAKDM4EMEN1
SCHEMBL8682165 0.76 POLB (0.37) POLBBCHEACHE
SCHEMBL8682170 0.76 POLB (0.37) POLBBCHEACHE
SCHEMBL8682108 0.74 POLB (0.36) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL28943426 0.73 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1LMNARAB9AMEN1
SCHEMBL30009641 0.73 AKR1C3 (0.36) SMN1; SMN2ALDH1A1LMNAKDM4EMEN1
SCHEMBL29139469 0.73 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL8681056 0.73 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1LMNAKDM4EMEN1
SCHEMBL20997022 0.72 KDM4E (0.36) ALDH1A1LMNAKDM4ERAB9AMEN1

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-2634176-A1 PYRIDINE DERIVATIVE AND MEDICINAL AGENT Nippon Shinyaku Co., Ltd. (JP) 2013-09-04 EP disclosed
US-20130225548-A1 Pyridine Derivative and Medicinal Agent NIPPON SHINYAKU CO., LTD. (JP) 2013-08-29 US disclosed
EP-0926164-B1 Substituted amino silane compounds and catalyst for the polymerization of alpha-olefins containing them BASELL NORTH AMERICA INC (US) 2004-02-25 EP disclosed
US-6130180-A Catalyst for the polymerization of alpha-olefins containing substituted amino silane compounds MONTELL NORTH AMERICA INC. (US) 2000-10-10 US disclosed
EP-0926164-A2 Substituted amino silane compounds and catalyst for the polymerization of alpha-olefins containing them MONTELL NORTH AMERICA INC. (US) 1999-06-30 EP 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-20130225548-A1 Pyridine Derivative and Medicinal Agent NR0B2, NR0B1, CNKSR1 SMN1; SMN2 3694/4885ALDH1A1 141/4885LMNA 2146/4885

“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.