SCHEMBL545135

SCHEMBL545135

O=C(O)C1([N+](=O)[O-])CC1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.43
MAPK1 P28482 1/20 0.43
KCNA4 P22459 1/20 0.41
KCNA1 Q09470 1/20 0.41
KCNAB1 Q14722 1/20 0.41
KDM1A O60341 10/20 0.39
MAOA P21397 9/20 0.39
MAOB P27338 9/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADAMTS5 Q9UNA0 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL12860013 0.85 LIG1 (0.40) KCNA4KCNA1KCNAB1KDM1AMEN1
SCHEMBL545458 0.85 ALDH1A1 (0.48) KDM1AMEN1KMT2AALDH1A1LMNA
SCHEMBL545459 0.85 ALDH1A1 (0.48) KDM1AMEN1KMT2AALDH1A1LMNA
SCHEMBL545342 0.83 KMT2A (0.43) CYP2C19MAPK1KDM1AMAOAMAOB
SCHEMBL544943 0.79 MEN1 (0.41) CYP2C19KCNA4KCNA1KCNAB1KDM1A
SCHEMBL544674 0.79 SMN1; SMN2 (0.52) CYP2C19MAPK1MEN1KMT2AALDH1A1
SCHEMBL10083061 0.75 PPARG (0.43) MAPK1ALDH1A1GAASMN1; SMN2
SCHEMBL6850886 0.72 NPC1 (0.34) CYP2C19MAPK1KCNA4KCNA1KCNAB1
SCHEMBL10071225 0.71 KDM1A (0.50) CYP2C19KCNA4KCNA1KCNAB1KDM1A
SCHEMBL5435422 0.70 MAPK1 (0.50) CYP2C19MAPK1KDM1AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180179177-A1 N-ACYLIMINO HETEROCYCLIC COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2018-06-28 US disclosed
WO-2015144813-A1 N-ACYLIMINO HETEROCYCLIC COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2015-10-01 WO disclosed
US-8110699-B2 Cobalt-catalyzed asymmetric cyclopropanation of alkenes with α-nitrodiazoacetates UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-07 US disclosed
US-20100081838-A1 Cobalt-Catalyzed Asymmetric Cyclopropanation of Alkenes with alpha-Nitrodiazoacetates UNIVERSITY OF SOUTH FLORIDA (US) 2010-04-01 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 (2 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-20180179177-A1 N-ACYLIMINO HETEROCYCLIC COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS C1S, H1-3, ATL3 CYP2C19 3772/4885MAPK1 3626/4885KCNA4 1166/4885
US-20100081838-A1 Cobalt-Catalyzed Asymmetric Cyclopropanation of Alkenes with alpha-Nitrodiazoacetates PPOX, IDH3A, HMOX2 CYP2C19 839/4885MAPK1 3601/4885KCNA4 3271/4885

“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.