SCHEMBL25801563

SCHEMBL25801563

Cc1ccc(C2(C(=N)NO)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD11B1 P28845 1/20 0.36
OPRM1 P35372 2/20 0.36
MAPT P10636 2/20 0.35
HTR1E P28566 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
S1PR3 Q99500 1/20 0.35
HDAC4 P56524 4/20 0.35
LMNA P02545 1/20 0.35
MAOB P27338 3/20 0.33
MAOA P21397 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL23588276 0.82 HDAC1 (0.41) HDAC1HDAC3HDAC2OPRM1HDAC4
SCHEMBL4590907 0.81 HDAC1 (0.42) HDAC1HDAC6HDAC3HDAC2CYP3A4
SCHEMBL23588091 0.81 HDAC4 (0.35) HDAC1OPRM1HDAC4
SCHEMBL18603143 0.81 HDAC4 (0.54) HDAC1HDAC6HDAC3HDAC2HSD11B1
SCHEMBL20116463 0.80 ALDH1A1 (0.46) HDAC1HDAC6HDAC3HDAC2CYP3A4
SCHEMBL838360 0.80 HDAC4 (0.52) HDAC1HSD11B1NPSR1HDAC4LMNA
SCHEMBL23588194 0.77 KDM1A (0.40) HDAC4
SCHEMBL23588199 0.77 THRB (0.47) HDAC1HDAC6HDAC3HDAC2OPRM1
SCHEMBL23972809 0.76 MAOB (0.39) CYP3A4CYP2D6CYP2C9HSD11B1OPRM1
SCHEMBL724772 0.76 HDAC1 (0.46) HDAC1HDAC3HDAC2HSD11B1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 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 (2 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 HDAC1 1659/4885HDAC6 50/4885HDAC3 655/4885
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES CPA2, RO60, C5AR1 HDAC1 1829/4885HDAC6 1265/4885HDAC3 947/4885

“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.