SCHEMBL25979197

SCHEMBL25979197

O=C(NOI)c1ccc(CN(C(=O)N2CCOCC2)c2ccc(-c3cc(F)cc(F)c3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MLYCD O95822 12/20 0.42
CD274 Q9NZQ7 1/20 0.40
ERN1 O75460 1/20 0.40
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
GRIN2B Q13224 1/20 0.39
FPR2 P25090 1/20 0.38
SCN9A Q15858 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL16211522 0.90 HDAC1 (0.45) HDAC1HDAC8HDAC6MLYCDCD274
SCHEMBL25979180 0.89 MAPT (0.46) HDAC1HDAC8HDAC6MLYCDCD274
SCHEMBL25979238 0.89 HDAC1 (0.51) HDAC1HDAC8HDAC6MLYCDCD274
SCHEMBL25979143 0.88 HDAC1 (0.46) HDAC1HDAC8HDAC6MLYCDCD274
SCHEMBL16211497 0.88 ALDH1A1 (0.46) HDAC1HDAC8HDAC6MLYCDERN1
SCHEMBL25979215 0.87 MLYCD (0.41) HDAC1HDAC8HDAC6MLYCDCD274
SCHEMBL25980828 0.85 HDAC1 (0.46) HDAC1HDAC8HDAC6MLYCDGRIN2B
SCHEMBL25981781 0.85 HDAC1 (0.49) HDAC1HDAC8HDAC6MLYCDNPC1
SCHEMBL25980601 0.84 MLYCD (0.43) HDAC1HDAC8HDAC6MLYCDCD274
SCHEMBL25979184 0.84 ALDH1A1 (0.41) HDAC1HDAC8HDAC6MLYCDCD274

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 1635/4885HDAC8 2983/4885HDAC6 997/4885

“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.