SCHEMBL25980709

SCHEMBL25980709

Cc1ccc(N(Cc2ccc(C(=O)NO)cc2)C(=O)N2CCOCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 5/20 0.48
CYP2D6 P10635 1/20 0.47
HDAC6 Q9UBN7 6/20 0.45
HDAC1 Q13547 5/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC3 O15379 1/20 0.45
HDAC2 Q92769 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
HDAC11 Q96DB2 1/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44

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
SCHEMBL18910372 0.97 MLYCD (0.46) MLYCDCYP2D6HDAC6HDAC1HDAC8
SCHEMBL17623817 0.90 HDAC6 (0.45) MLYCDHDAC6HDAC1HDAC8PDK2
SCHEMBL16211604 0.90 NPC1 (0.48) MLYCDHDAC6HDAC1HDAC8HDAC3
SCHEMBL23436417 0.89 NPC1 (0.48) MLYCDHDAC6HDAC1HDAC8HDAC2
SCHEMBL16211463 0.89 HDAC1 (0.59) MLYCDHDAC6HDAC1HDAC8HDAC3
SCHEMBL17623522 0.87 HDAC1 (0.49) MLYCDHDAC6HDAC1HDAC8CYP2C19
SCHEMBL16211719 0.87 HDAC6 (0.52) MLYCDHDAC6HDAC1HDAC8HDAC11
SCHEMBL16211999 0.87 HDAC1 (0.51) MLYCDHDAC6HDAC1HDAC8HDAC3
SCHEMBL17618030 0.87 ALDH1A1 (0.52) MLYCDMEN1KMT2A
SCHEMBL25980601 0.86 MLYCD (0.43) MLYCDHDAC6HDAC1HDAC8HDAC3

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 MLYCD 2027/4885CYP2D6 1618/4885HDAC6 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.