SCHEMBL6396103

SCHEMBL6396103

Cc1ccc(C(=O)NCCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MAPT P10636 2/20 0.59
MEN1 O00255 1/20 0.59
GAA P10253 1/20 0.59
HTT P42858 1/20 0.59
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
ALDH1A1 P00352 5/20 0.52
HPGD P15428 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.48
CYP19A1 P11511 1/20 0.48
CYP2C19 P33261 1/20 0.48
MGLL Q99685 1/20 0.48
HSP90AA1 P07900 1/20 0.48
KCNH2 Q12809 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL6397149 0.84 MGLL (0.62) MAPTMEN1GAAKMT2AALDH1A1
SCHEMBL6402888 0.84 MGLL (0.66) SMN1; SMN2MAPTALDH1A1HPGDL3MBTL1
SCHEMBL6397835 0.82 ALDH1A1 (0.62) KMT2ANPSR1ALDH1A1MGLLKCNH2
SCHEMBL30690819 0.82 LMNA (0.62) LMNASMN1; SMN2MAPTMEN1GAA
SCHEMBL6399880 0.81 MGLL (0.63) MAPTKMT2AALDH1A1MGLLKCNH2
SCHEMBL6404498 0.79 CCR3 (0.66) LMNASMN1; SMN2MAPTMEN1GAA
SCHEMBL6397433 0.78 ALDH1A1 (0.63) MEN1KMT2AALDH1A1MGLLKCNH2
SCHEMBL6397890 0.78 HTR1A (0.70) CYP2C19
SCHEMBL6403495 0.78 ALDH1A1 (0.59) LMNASMN1; SMN2MAPTMEN1GAA
SCHEMBL10712423 0.78 ALDH1A1 (0.62) ALDH1A1MGLLKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030134840-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2003-07-17 US claimed
JP-2002540204-A 2002-11-26 JP claimed
EP-1165545-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-01-02 EP claimed
WO-2000058305-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-10-05 WO claimed
US-6946478-B2 Compounds ASTRAZENECA AB (SE) 2005-09-20 US disclosed
US-20030134840-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2003-07-17 US disclosed
US-6518286-B1 Piperidinyl compounds for modulation of immune and inflammatory responses in various diseases and disorders, including asthma ASTRAZENECA AB (SE) 2003-02-11 US disclosed
EP-1165545-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-01-02 EP disclosed
WO-2000058305-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-10-05 WO 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-20030134840-A1 Novel compounds RPS4X, RPS4Y1, CYP4B1 LMNA 2421/4885SMN1; SMN2 1890/4885MAPT 3134/4885

“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.