SCHEMBL7249269

SCHEMBL7249269

O=C(COc1ccccc1N[N+](=O)[O-])N1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 2/20 0.57
CCR1 P32246 1/20 0.55
LMNA P02545 3/20 0.51
POLB P06746 2/20 0.51
CYP3A4 P08684 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
ABCB11 O95342 1/20 0.48
ADRA2A P08913 1/20 0.48
CYP2D6 P10635 1/20 0.48
CHRM1 P11229 1/20 0.48
TBXA2R P21731 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A3 Q01959 1/20 0.48

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
SCHEMBL5059118 0.84 KDM4E (0.63) KDM4ESMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL5055862 0.83 ABCB11 (0.61) KDM4ESMN1; SMN2ALDH1A1CCR1LMNA
SCHEMBL5059394 0.82 LMNA (0.58) KDM4ESMN1; SMN2ALDH1A1CCR1LMNA
SCHEMBL5059450 0.81 MEN1 (0.67) KDM4ESMN1; SMN2ALDH1A1CCR1LMNA
SCHEMBL5061304 0.80 CCR1 (0.55) KDM4ESMN1; SMN2ALDH1A1CCR1LMNA
SCHEMBL5061113 0.80 CYP3A4 (0.59) KDM4ESMN1; SMN2ALDH1A1CCR1LMNA
SCHEMBL5059169 0.80 KDM4E (0.63) KDM4ESMN1; SMN2ALDH1A1CCR1LMNA
SCHEMBL5055500 0.79 LMNA (0.58) KDM4ESMN1; SMN2ALDH1A1CCR1LMNA
SCHEMBL5064456 0.79 LMNA (0.58) KDM4ESMN1; SMN2ALDH1A1CCR1LMNA
SCHEMBL5060577 0.79 LMNA (0.58) KDM4ESMN1; SMN2ALDH1A1CCR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030139425-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2003-07-24 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-20030139425-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES KDM4E 1780/4885SMN1; SMN2 4729/4885ALDH1A1 465/4885

“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.