SCHEMBL25845553

SCHEMBL25845553

O=[N+]([O-])c1ccc(N2CCC(C3CCCCC3)CC2)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.63
KMT2A Q03164 1/20 0.63
LMNA P02545 3/20 0.61
GAA P10253 1/20 0.52
MAPT P10636 2/20 0.52
THRB P10828 1/20 0.52
POLB P06746 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SLC6A9 P48067 2/20 0.48
SLC6A5 Q9Y345 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL10036446 0.88 ALDH1A1 (0.63) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL25845426 0.86 ALDH1A1 (0.62) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL1127011 0.86 ALDH1A1 (0.73) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL30928952 0.86 ALDH1A1 (0.73) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL85672 0.86 ALDH1A1 (0.73) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL25447375 0.85 ALDH1A1 (0.55) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL25845408 0.85 ALDH1A1 (0.64) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL1640562 0.84 ALDH1A1 (0.60) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL4921368 0.84 ALDH1A1 (0.75) ALDH1A1KMT2ALMNAGAAMAPT
SCHEMBL14464189 0.84 ALDH1A1 (0.79) ALDH1A1KMT2ALMNAGAAMAPT

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.