SCHEMBL22314928

SCHEMBL22314928

NNC(=O)CCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.47
TSPO P30536 1/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL22314479 0.87 KMO (0.63) KMOTSPO
SCHEMBL22315033 0.87 KMO (0.47) KMOTSPOALDH1A1MAPTTSHR
SCHEMBL20472706 0.86 KMO (0.53) KMOTSPOALDH1A1
SCHEMBL22314474 0.84 KMO (0.46) KMOTSPOALDH1A1MAPT
SCHEMBL22315037 0.84 TSPO (0.51) KMOTSPO
SCHEMBL25865325 0.83 KMO (0.49) KMOTSPOALDH1A1
SCHEMBL22314927 0.83 KMO (0.49) KMOTSPOALDH1A1POLB
SCHEMBL22315038 0.82 KMO (0.48) KMOTSPOPOLB
SCHEMBL22315032 0.82 ALDH1A1 (0.56) KMOALDH1A1MAPTTSHRLMNA
SCHEMBL22314901 0.82 HPGD (0.51) TSPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PREC MEDICINES INC (US) 2023-07-13 US disclosed
US-20200247793-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-08-06 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 (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-20200247793-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B KMO 2000/4885TSPO 394/4885ALDH1A1 916/4885
US-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B KMO 2000/4885TSPO 394/4885ALDH1A1 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.