SCHEMBL25979283

SCHEMBL25979283

O=C(NOI)c1ccc(CN(C(=O)N2CCCCC2)c2ccccn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 6/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 3/20 0.46
HPGD P15428 4/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
F2 P00734 3/20 0.41

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
SCHEMBL25979317 0.99 TSHR (0.46) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL25980746 0.97 TSHR (0.46) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL25980729 0.90 TSHR (0.41) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL25979330 0.90 TSHR (0.44) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL16211832 0.89 SMN1; SMN2 (0.47) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL25979342 0.89 POLB (0.44) SMN1; SMN2ALDH1A1MAPTHTTCYP3A4
SCHEMBL16211683 0.88 TSHR (0.48) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL25979300 0.88 HTT (0.49) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL25979358 0.87 HDAC4 (0.47) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL16211542 0.86 ALDH1A1 (0.54) SMN1; SMN2LMNAALDH1A1MAPTHTT

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-20230248735-A1 COMPOSITIONS FOR PREVENTING OR TREATING CHRONIC OBSTRUCTIVE PULMONARY DISEASES (COPD) CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-10 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-20230248735-A1 COMPOSITIONS FOR PREVENTING OR TREATING CHRONIC OBSTRUCTIVE PULMONARY DISEASES (COPD) NR1H2, CFTR, CYP11B2 SMN1; SMN2 4332/4885LMNA 2240/4885ALDH1A1 674/4885

“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.