SCHEMBL25801599

SCHEMBL25801599

N=C(NO)C1(c2ccc(C3CCCC3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC1 Q13547 1/20 0.46
CYP3A4 P08684 2/20 0.41
HDAC3 O15379 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HSD11B1 P28845 6/20 0.36
HAO1 Q9UJM8 1/20 0.35
ESR2 Q92731 6/20 0.34
ESR1 P03372 5/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HDAC4 P56524 1/20 0.34

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
SCHEMBL23578555 0.97 HDAC8 (0.42) HDAC8HDAC6HDAC1CYP3A4HDAC3
SCHEMBL23588276 0.75 HDAC1 (0.41) HDAC8HDAC1HDAC3HDAC4
SCHEMBL348524 0.75 CYP3A4 (0.64) HDAC8HDAC6HDAC1CYP3A4HSD11B1
SCHEMBL18603143 0.74 HDAC4 (0.54) HDAC6HDAC1HDAC3HSD11B1HDAC4
SCHEMBL4590907 0.74 HDAC1 (0.42) HDAC6HDAC1CYP3A4HDAC3HSD11B1
SCHEMBL23588091 0.74 HDAC4 (0.35) HDAC1HDAC4
SCHEMBL23578579 0.74 FURIN (0.43) HSD11B1CYP2C9HDAC4
SCHEMBL838360 0.73 HDAC4 (0.52) HDAC1HSD11B1HDAC4
SCHEMBL724772 0.73 HDAC1 (0.46) HDAC8HDAC1HDAC3HSD11B1HDAC4
SCHEMBL4748287 0.71 HDAC4 (0.60) HDAC1HSD11B1HDAC4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4081511-B3 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES SITRYX THERAPEUTICS LTD (GB) 2026-03-04 EP disclosed
EP-4442319-A2 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES Sitryx Therapeutics Limited (GB) 2024-10-09 EP disclosed
EP-4081511-B1 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES SITRYX THERAPEUTICS LTD (GB) 2024-07-31 EP disclosed
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 US disclosed
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 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-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES CPA2, RO60, C5AR1 HDAC8 2705/4885HDAC6 1265/4885HDAC1 1829/4885

“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.