SCHEMBL221507

SCHEMBL221507

O=C(c1ccccc1)C(C(=O)c1ccccc1)[C@H](C[N+](=O)[O-])c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
HSP90AA1 P07900 2/20 0.41
GAA P10253 2/20 0.41
APAF1 O14727 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.40
CPA1 P15085 3/20 0.40
CNR2 P34972 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL221508 1.00 LMNA (0.43) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL221352 0.90 TDP1 (0.47) LMNAALDH1A1KDM4EMAPTATM
SCHEMBL221353 0.90 TDP1 (0.47) LMNAALDH1A1KDM4EMAPTATM
SCHEMBL221212 0.86 LMNA (0.43) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL221108 0.86 ALDH1A1 (0.53) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL221107 0.86 ALDH1A1 (0.53) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL221213 0.86 LMNA (0.43) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL220114 0.86 CNR1 (0.43) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL220113 0.86 CNR1 (0.43) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL22831459 0.85 ALDH1A1 (0.44) LMNAMEN1KMT2AALDH1A1KDM4E

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
US-8940938-B2 Michael reaction with recovery of the catalyst NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-01-27 US disclosed
US-8940938-B2 Michael reaction with recovery of the catalyst NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-01-27 US disclosed
US-8940938-B2 Michael reaction with recovery of the catalyst NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-01-27 US disclosed
US-20120004424-A1 MICHAEL REACTION WITH RECOVERY OF THE CATALYST NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-01-05 US disclosed
US-20120004424-A1 MICHAEL REACTION WITH RECOVERY OF THE CATALYST NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-01-05 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-20120004424-A1 MICHAEL REACTION WITH RECOVERY OF THE CATALYST CYP2E1, CYP11B2, CYP11B1 LMNA 3606/4885MEN1 415/4885KMT2A 3060/4885

“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.