SCHEMBL24312993

SCHEMBL24312993

CC(C)c1nc2cc(C(F)(F)F)c(C(C)C)cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
LMNA P02545 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CACNA1H O95180 4/20 0.42
SCN10A Q9Y5Y9 3/20 0.41
TRPA1 O75762 1/20 0.39
CACNA1G O43497 1/20 0.38
CACNA1C Q13936 1/20 0.38
HPGD P15428 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
AR P10275 1/20 0.35
NOTUM Q6P988 1/20 0.35
ALOX15 P16050 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 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
SCHEMBL11881600 0.89 KDM4E (0.56) KDM4ELMNAHSD17B10CACNA1HSCN10A
SCHEMBL22210591 0.84 KDM4E (0.51) KDM4ELMNAHSD17B10CACNA1HSCN10A
SCHEMBL19539999 0.83 KDM4E (0.50) KDM4ELMNAHSD17B10CACNA1HSCN10A
SCHEMBL19911168 0.81 HSD17B10 (0.62) KDM4ELMNAHSD17B10SCN10AHPGD
SCHEMBL12777696 0.81 KDM4E (0.51) KDM4ELMNAHSD17B10CACNA1HSCN10A
SCHEMBL13542746 0.80 KDM4E (0.50) KDM4ELMNAHSD17B10CACNA1HSCN10A
SCHEMBL5951185 0.79 HSD17B10 (0.56) KDM4ELMNAHSD17B10SCN10AHPGD
SCHEMBL11875522 0.77 LMNA (0.44) KDM4ELMNAHSD17B10CACNA1HSCN10A
SCHEMBL3265264 0.76 HSD17B10 (0.56) KDM4ELMNAHSD17B10SCN10AHPGD
SCHEMBL12938095 0.75 KDM4E (0.69) KDM4ELMNAHSD17B10SCN10AHPGD

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-20220096441-A1 TREATMENT OF ACANTHAMOEBA OR BALAMUTHIA TROPHOZOITES AND/OR CYSTS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2022-03-31 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-20220096441-A1 TREATMENT OF ACANTHAMOEBA OR BALAMUTHIA TROPHOZOITES AND/OR CYSTS PKD2, PKD1, MUC1 KDM4E 3891/4885LMNA 3130/4885HSD17B10 2450/4885

“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.