SCHEMBL25980762

SCHEMBL25980762

CCc1cc(N(Cc2ccc(C(=O)NOI)cc2)C(=O)N2CCCCC2)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PDK2 Q15119 2/20 0.37
PDK4 Q16654 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 6/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 5/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
AR P10275 2/20 0.35
F2 P00734 3/20 0.34
F10 P00742 2/20 0.34
PRSS1 P07477 2/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
TSHR P16473 2/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL25980814 0.91 ALDH1A1 (0.40) HDAC6SMN1; SMN2KCNH2ALDH1A1LMNA
SCHEMBL25980818 0.91 SMN1; SMN2 (0.38) HDAC1SMN1; SMN2KCNH2ALDH1A1LMNA
SCHEMBL25980785 0.91 HDAC1 (0.40) HDAC1HDAC6PDK2PDK4SMN1; SMN2
SCHEMBL25980773 0.90 MERTK (0.40) SMN1; SMN2KCNH2ALDH1A1LMNAHPGD
SCHEMBL25980807 0.86 L3MBTL1 (0.38) SMN1; SMN2KCNH2ALDH1A1HPGDKMT2A
SCHEMBL25980910 0.80 HDAC1 (0.43) HDAC1HDAC6SMN1; SMN2ALDH1A1LMNA
SCHEMBL25981775 0.80 HPGD (0.47) HDAC1HDAC6PDK2PDK4SMN1; SMN2
SCHEMBL25979588 0.75 HDAC6 (0.50) HDAC1HDAC6
SCHEMBL25979283 0.74 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAHPGDMAPT
SCHEMBL25979317 0.73 TSHR (0.46) SMN1; SMN2ALDH1A1LMNAHPGDMAPT

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 HDAC1 1635/4885HDAC6 997/4885PDK2 1667/4885

“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.