SCHEMBL25846216

SCHEMBL25846216

O=[N+]([O-])c1ccc(N2CCC(C3(F)CCCCC3)CC2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.56
KMT2A Q03164 1/20 0.56
LMNA P02545 3/20 0.52
MAPT P10636 2/20 0.47
THRB P10828 1/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.45
SLC6A9 P48067 2/20 0.44
SLC6A5 Q9Y345 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL25846217 0.87 ALDH1A1 (0.55) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL28500930 0.84 ALDH1A1 (0.54) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL25845553 0.81 ALDH1A1 (0.63) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL30207530 0.81 ALDH1A1 (0.50) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL23783143 0.81 ALDH1A1 (0.50) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL85672 0.80 ALDH1A1 (0.73) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL30928952 0.80 ALDH1A1 (0.73) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL1127011 0.80 ALDH1A1 (0.73) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL3026496 0.79 ALDH1A1 (0.68) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL1640562 0.79 ALDH1A1 (0.60) ALDH1A1KMT2ALMNAMAPTTHRB

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 4230/4885KMT2A 1429/4885LMNA 2718/4885

“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.