SCHEMBL25979308

SCHEMBL25979308

CC1CN(C(=O)N(Cc2ccc(C(=O)NOI)cc2)c2ccccn2)CC(C)O1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 2/20 0.39
ALOX15 P16050 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL16211276 0.90 HDAC6 (0.43) TSHRPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL16211476 0.88 ALDH1A1 (0.51) TSHRPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL25979300 0.87 HTT (0.49) TSHRPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL25979317 0.85 TSHR (0.46) TSHRPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL25980746 0.85 TSHR (0.46) TSHRPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL25979330 0.85 TSHR (0.44) TSHRPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL25979283 0.84 SMN1; SMN2 (0.46) TSHRPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL25979342 0.84 POLB (0.44) TSHRPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL25981731 0.83 ALDH1A1 (0.42) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL25980729 0.81 TSHR (0.41) TSHRPOLBSMN1; SMN2MEN1KMT2A

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 TSHR 4672/4885POLB 1599/4885SMN1; SMN2 4332/4885

“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.