SCHEMBL25980260

SCHEMBL25980260

CONC(=O)c1ccc(CN(C(=O)N2CCOCC2)c2cccc(F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC8 Q9BY41 2/20 0.49
MTOR P42345 1/20 0.43
MLYCD O95822 4/20 0.43
HDAC5 Q9UQL6 2/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
LTB4R2 Q9NPC1 2/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NR1H4 Q96RI1 2/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL25980267 0.96 HDAC1 (0.46) HDAC1HDAC6HDAC8MTORMLYCD
SCHEMBL25981781 0.91 HDAC1 (0.49) HDAC1HDAC6HDAC8MTORMLYCD
SCHEMBL20236880 0.91 HDAC1 (0.51) HDAC1HDAC6HDAC8MTORMLYCD
SCHEMBL16211288 0.90 HDAC1 (0.50) HDAC1HDAC6HDAC8MTORMLYCD
SCHEMBL16211386 0.89 HDAC6 (0.51) HDAC1HDAC6HDAC8MTORHDAC5
SCHEMBL25981161 0.89 SMN1; SMN2 (0.51) HDAC1HDAC6HDAC8NPC1RAB9A
SCHEMBL25978999 0.88 MLYCD (0.47) HDAC1HDAC6HDAC8MLYCDALDH1A1
SCHEMBL29879218 0.88 HDAC1 (0.47) HDAC1HDAC6HDAC8MTORMLYCD
SCHEMBL25981788 0.88 HDAC1 (0.47) HDAC1HDAC6HDAC8MTORMLYCD
SCHEMBL23283078 0.87 HDAC1 (0.47) HDAC1HDAC6HDAC8MLYCDHDAC5

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 997/4885HDAC8 2983/4885

“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.