SCHEMBL16425199

SCHEMBL16425199

O=C1CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
RECQL P46063 1/20 0.56
KCNJ1 P48048 2/20 0.54
KCNH2 Q12809 2/20 0.54
ALDH1A1 P00352 5/20 0.53
LMNA P02545 4/20 0.53
KDM4E B2RXH2 1/20 0.52
THRB P10828 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 3/20 0.51
POLB P06746 2/20 0.51
MEN1 O00255 2/20 0.51
SIGMAR1 Q99720 1/20 0.48
HSP90AA1 P07900 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 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
SCHEMBL4400997 0.87 KCNJ1 (0.51) MAPTSMN1; SMN2RECQLKCNJ1KCNH2
SCHEMBL16425193 0.78 ALDH1A1 (0.45) MAPTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL6535800 0.78 ALDH1A1 (0.64) MAPTSMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL1876940 0.77 RECQL (0.72) MAPTSMN1; SMN2RECQLKCNJ1KCNH2
SCHEMBL15073074 0.76 KCNJ1 (0.49) MAPTSMN1; SMN2KCNJ1KCNH2ALDH1A1
SCHEMBL2384676 0.76 RECQL (0.70) MAPTSMN1; SMN2RECQLKCNJ1KCNH2
SCHEMBL6607225 0.75 RECQL (0.68) MAPTSMN1; SMN2RECQLKCNJ1KCNH2
SCHEMBL4987745 0.73 RECQL (0.67) MAPTSMN1; SMN2RECQLKCNJ1KCNH2
SCHEMBL2747017 0.73 KCNJ1 (0.73) MAPTSMN1; SMN2RECQLKCNJ1KCNH2
SCHEMBL1578918 0.73 ALDH1A1 (0.48) MAPTSMN1; SMN2RECQLKCNJ1KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9352050-B2 Processes for preparing peptide conjugates and linkers PFIZER INC. (US) 2016-05-31 US disclosed
US-20150031108-A1 PROCESSES FOR PREPARING PEPTIDE CONJUGATES AND LINKERS PEPTIDE LOGIC LLC 2015-01-29 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-20150031108-A1 PROCESSES FOR PREPARING PEPTIDE CONJUGATES AND LINKERS VIP, NGLY1, PTMS MAPT 3101/4885SMN1; SMN2 2861/4885RECQL 3892/4885

“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.