SCHEMBL25845854

SCHEMBL25845854

O=C1CCC(Nc2ccc(C3CCN(C(=O)Cc4ccc([N+](=O)[O-])cc4)CC3)cc2)C(=O)N1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
KCNJ1 P48048 1/20 0.48
KCNH2 Q12809 1/20 0.48
CRBN Q96SW2 7/20 0.48
DDB1 Q16531 6/20 0.48
KDM4E B2RXH2 1/20 0.47
RECQL P46063 1/20 0.47
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
POLB P06746 2/20 0.44
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL23783083 0.87 CRBN (0.61) CRBNDDB1HDAC3HDAC1HDAC2
SCHEMBL23783020 0.85 ALDH1A1 (0.52) ALDH1A1LMNAKCNJ1KCNH2KDM4E
SCHEMBL30304379 0.84 FAAH (0.54) CRBNDDB1
SCHEMBL27091692 0.80 DDB1 (0.58) CRBNDDB1HDAC3HDAC1HDAC2
SCHEMBL23783169 0.80 DDB1 (0.52) CRBNDDB1HDAC3HDAC1HDAC2
SCHEMBL30919585 0.80 DDB1 (0.52) CRBNDDB1HDAC3HDAC1HDAC2
SCHEMBL8656203 0.80 CRBN (0.65) LMNACRBNDDB1POLB
SCHEMBL25845862 0.79 RXFP1 (0.51) ALDH1A1LMNACRBNDDB1KDM4E
SCHEMBL29554955 0.79 RXFP1 (0.51) ALDH1A1LMNACRBNDDB1KDM4E
SCHEMBL31323602 0.79 DDB1 (0.52) CRBNDDB1HDAC3HDAC1HDAC2

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-11691972-B2 Compounds for targeted degradation of BRD9 C4 THERAPEUTICS, INC. (US) 2023-07-04 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-11691972-B2 Compounds for targeted degradation of BRD9 BRD9, BRD1, BRWD1 ALDH1A1 4230/4885LMNA 2718/4885KCNJ1 3635/4885

“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.