SCHEMBL2362643

SCHEMBL2362643

O=C(O[N+]1(O)C(=O)CCC1=O)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 2/20 0.46
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
GAA P10253 2/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL2363364 0.81 CES2 (0.44) KMT2ACES2CES1ALDH1A1HPGD
SCHEMBL2363693 0.79 LMNA (0.49) SMN1; SMN2KMT2APOLBALDH1A1RAB9A
SCHEMBL9244299 0.78 AKR1C3 (0.47) SMN1; SMN2ALDH1A1GAAPKML3MBTL1
SCHEMBL1078138 0.78 KMT2A (0.35) SMN1; SMN2KMT2AALDH1A1HPGDGAA
SCHEMBL2356951 0.76 LMNA (0.47) SMN1; SMN2KMT2APOLBCES2CES1
SCHEMBL2363487 0.76 ALDH1A1 (0.46) SMN1; SMN2KMT2AALDH1A1HPGDRAB9A
SCHEMBL5195785 0.76 CYP3A4 (0.34) ALDH1A1HPGDMAPTNPSR1
SCHEMBL2362867 0.73 NAPRT (0.49) SMN1; SMN2KMT2AALDH1A1NPC1L3MBTL1
SCHEMBL6027322 0.71 ALDH1A1 (0.45) SMN1; SMN2KMT2AALDH1A1HPGDRAB9A
SCHEMBL2153551 0.70 CES2 (0.62) SMN1; SMN2KMT2APOLBCES2CES1

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-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 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-20080293666-A1 Antibacterial Agents MRPL21, ABCB7, MSR1 SMN1; SMN2 4231/4885KMT2A 4023/4885POLB 933/4885

“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.