SCHEMBL5569628

SCHEMBL5569628

COc1cc(-c2ccc([N+](=O)[O-])cc2C(=O)N2CCN(CCCN3CCN(C(=O)c4cc([N+](=O)[O-])ccc4-c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 3/20 0.48
SLC6A5 Q9Y345 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ABCB1 P08183 1/20 0.45
ABCC1 P33527 1/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE1C Q14123 1/20 0.44
SLC29A1 Q99808 1/20 0.44
MAPT P10636 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.43

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
Hydrochloric Acid SCHEMBL5573214 0.99 ALDH1A1 (0.47) ALDH1A1KMT2ASLC6A5SMN1; SMN2ABCB1
SCHEMBL6792388 0.89 ALDH1A1 (0.52) ALDH1A1KMT2ASLC6A5SMN1; SMN2KDM4E
SCHEMBL5573082 0.84 LMNA (0.47) ALDH1A1KMT2ASMN1; SMN2KDM4ELMNA
Hydrochloric Acid SCHEMBL5570671 0.83 LMNA (0.46) ALDH1A1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL4640407 0.77 PKM (0.53) ALDH1A1LMNAMAPT
SCHEMBL4640437 0.75 MAPT (0.54) ALDH1A1KMT2ASMN1; SMN2ABCB1LMNA
SCHEMBL5572651 0.74 POLB (0.64) ALDH1A1KMT2AKDM4ELMNASLC29A1
Hydrochloric Acid SCHEMBL5570686 0.73 POLB (0.63) ALDH1A1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL5572627 0.72 POLB (0.64) ALDH1A1KMT2AKDM4ELMNASLC29A1
SCHEMBL3183676 0.72 ALDH1A1 (0.56) ALDH1A1KMT2ASLC6A5SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1057815-B1 CYCLIC AMIDE COMPOUNDS KOWA CO (JP) 2007-09-05 EP disclosed
EP-1057815-B1 CYCLIC AMIDE COMPOUNDS KOWA CO (JP) 2007-09-05 EP disclosed
US-6645957-B2 Useful in preventing and treating allergic immunological diseases; treating asthma, atopic dermatitis, allergic rhinitis, inflammatory large bowel disease, contact dermatitis KOWA CO., LTD. (JP) 2003-11-11 US disclosed
US-20030096828-A1 Cyclic amide compound KOWA CO., LTD. (JP) 2003-05-22 US disclosed
US-6448242-B1 COMPOUND HAVING A STRONG INHIBITORY EFFECT ON THE PRODUCTION OF AN IGE ANTIBODY; ANTIALLERGENS KOWA CO., LTD. (JP) 2002-09-10 US disclosed
EP-1057815-A1 CYCLIC AMIDE COMPOUNDS Kowa Co., Ltd. (JP) 2000-12-06 EP 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-20030096828-A1 Cyclic amide compound CMA1, HRH2, HRH4 ALDH1A1 2028/4885KMT2A 330/4885SLC6A5 3748/4885

“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.