SCHEMBL20529653

SCHEMBL20529653

Nc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
TP53 P04637 1/20 0.42
CASP3 P42574 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
MITF O75030 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TXNRD1 Q16881 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
AURKA O14965 1/20 0.40
TPX2 Q9ULW0 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
SCHEMBL14322739 0.88 MAPT (0.58) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL23651401 0.85 MAPT (0.52) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL13581006 0.84 TDP1 (0.49) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL1241731 0.81 ALDH1A1 (0.47) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL3973537 0.80 MAPT (0.69) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL4330380 0.80 MAPT (0.56) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL13581002 0.80 CHEK1 (0.48) LMNAALDH1A1MEN1KMT2ATDP1
SCHEMBL12953342 0.79 MAPT (0.48) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL203169 0.78 MAPT (0.53) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL13735059 0.78 MAPT (0.56) MAPTLMNAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731966-B2 Compounds and their methods of use PRAXIS PRECISION MEDICINES, INC. (US) 2023-08-22 US disclosed
US-11731966-B2 Compounds and their methods of use PRAXIS PRECISION MEDICINES, INC. (US) 2023-08-22 US disclosed
US-11731966-B2 Compounds and their methods of use PRAXIS PRECISION MEDICINES, INC. (US) 2023-08-22 US disclosed
US-20210355118-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-11-18 US disclosed
WO-2018187480-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2018-10-11 WO 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-11731966-B2 Compounds and their methods of use SCN1A, SCN3A, SCN1B MAPT 670/4885LMNA 688/4885ALDH1A1 916/4885
US-20210355118-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B MAPT 670/4885LMNA 688/4885ALDH1A1 916/4885

“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.