SCHEMBL26679676

SCHEMBL26679676

CC(=O)c1nn(CC(=O)OC(C)(C)C)c2c([N+](=O)[O-])cc(Br)cc12

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FBP1 P09467 1/20 0.31
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL26679679 0.86 ALDH1A1 (0.34) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL30207179 0.84 CFD (0.33) ALDH1A1KDM4E
SCHEMBL21752293 0.84 CFD (0.33) ALDH1A1KDM4E
SCHEMBL26679601 0.83 AAK1 (0.31) ALDH1A1KDM4E
SCHEMBL25930645 0.83 MTNR1A (0.33) ALDH1A1KDM4E
SCHEMBL25930232 0.83 MTNR1A (0.33) ALDH1A1KDM4E
SCHEMBL29468351 0.83 MTNR1A (0.33) ALDH1A1KDM4E
SCHEMBL26679589 0.82 CFD (0.40)
SCHEMBL29468454 0.81 HDAC6 (0.33)
SCHEMBL25930475 0.81 HDAC6 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20220380380-A1 MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2022-12-01 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-20220380380-A1 MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH ALDH1A1 4659/4885MEN1 108/4885MAPT 3007/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH ALDH1A1 4659/4885MEN1 108/4885MAPT 3007/4885

“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.