SCHEMBL29779505

SCHEMBL29779505

N=c1sc2c(n1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
TP53 P04637 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
RECQL P46063 3/20 0.37
POLB P06746 3/20 0.37
ATM Q13315 2/20 0.35
NPSR1 Q6W5P4 4/20 0.34
APAF1 O14727 3/20 0.34
UBE2N P61088 2/20 0.34

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
SCHEMBL22761834 0.77 CYP3A4 (0.62) MEN1KMT2ACYP1A1CYP1B1TP53
SCHEMBL19610233 0.76 CYP1A1 (0.61) MEN1KMT2ACYP1A1CYP1B1TP53
Bromide SCHEMBL22749446 0.76 CYP1A1 (0.63) MEN1KMT2ACYP1A1CYP1B1TP53
Bromide SCHEMBL30145064 0.75 CYP1A1 (0.62) MEN1KMT2ACYP1A1CYP1B1TP53
SCHEMBL22761851 0.69 CYP1A1 (0.72) MEN1KMT2ACYP1A1CYP1B1TP53
Bromide SCHEMBL22749642 0.68 CYP1A1 (0.73) MEN1KMT2ACYP1A1CYP1B1TP53
Bromide SCHEMBL22749641 0.68 CYP1A1 (0.69) MEN1KMT2ACYP1A1CYP1B1TP53
SCHEMBL22761685 0.67 HTT (0.48) MEN1KMT2ACYP1A1CYP1B1TP53
Bromide SCHEMBL4940305 0.66 CYP1A1 (0.48) MEN1KMT2ACYP1A1CYP1B1TP53
Bromide SCHEMBL4942000 0.66 SMN1; SMN2 (0.55) MEN1KMT2ACYP1A1CYP1B1TP53

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-20220251054-A1 Analogues and Methods of Treating Rett Syndrome UNIV CALIFORNIA (US) 2022-08-11 US claimed
US-20220251054-A1 Analogues and Methods of Treating Rett Syndrome UNIV CALIFORNIA (US) 2022-08-11 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-20220251054-A1 Analogues and Methods of Treating Rett Syndrome MECP2, PAX3, PAX2 MEN1 752/4885KMT2A 87/4885CYP1A1 4823/4885

“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.