SCHEMBL25447381

SCHEMBL25447381

O=[N+]([O-])c1ccc(N2CCC(N3CC4(CCC4)C3)CC2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
KMT2A Q03164 1/20 0.55
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.47
THRB P10828 1/20 0.47
POLB P06746 1/20 0.44
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
SLC6A9 P48067 2/20 0.41
SLC6A5 Q9Y345 2/20 0.41
PARP1 P09874 2/20 0.41
TNK1 Q13470 2/20 0.41
TNK2 Q07912 1/20 0.41
DPP4 P27487 1/20 0.40

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
SCHEMBL25173240 0.89 ALDH1A1 (0.53) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL21245661 0.87 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL1640562 0.85 ALDH1A1 (0.60) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL25447375 0.84 ALDH1A1 (0.55) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL30306129 0.81 ALDH1A1 (0.57) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL22471238 0.81 ALDH1A1 (0.57) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL24267643 0.81 ALDH1A1 (0.57) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL26655535 0.81 ALDH1A1 (0.57) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL25169824 0.81 ALDH1A1 (0.47) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL31334229 0.80 MAPT (0.46) 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-20230145336-A1 BRAF DEGRADERS C4 THERAPEUTICS, INC. (US) 2023-05-11 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-20230145336-A1 BRAF DEGRADERS BRAF, NRAS, RAF1 ALDH1A1 1704/4885KMT2A 738/4885LMNA 3688/4885

“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.