SCHEMBL25979330

SCHEMBL25979330

CN1CCN(C(=O)N(Cc2ccc(C(=O)NOI)cc2)c2ccccn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
OPRM1 P35372 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL25980729 0.96 TSHR (0.41) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL25979342 0.91 POLB (0.44) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL25979317 0.91 TSHR (0.46) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL25980746 0.91 TSHR (0.46) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL16211627 0.90 HDAC6 (0.48) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL25979283 0.90 SMN1; SMN2 (0.46) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL25979300 0.88 HTT (0.49) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL16211273 0.88 ALDH1A1 (0.53) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL25979358 0.87 HDAC4 (0.47) TSHRPOLBALDH1A1HPGDKDM4E
SCHEMBL16211609 0.86 HDAC6 (0.45) TSHRPOLBMEN1KMT2AALDH1A1

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 1599/4885MEN1 4709/4885

“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.