SCHEMBL6330254

SCHEMBL6330254

O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
MAPT P10636 4/20 0.56
CSNK2A2 P19784 1/20 0.54
CSNK2B P67870 1/20 0.54
CSNK2A1 P68400 1/20 0.54
CSNK2A3 Q8NEV1 1/20 0.54
MPL P40238 8/20 0.53
ADORA3 P0DMS8 2/20 0.52
TRPV1 Q8NER1 1/20 0.50
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL6338082 0.82 SCD (0.62) MEN1KMT2AMAPTADORA3ALDH1A1
SCHEMBL6252950 0.82 KDM4E (0.63) MEN1KMT2AMAPTCSNK2A2CSNK2B
SCHEMBL6225763 0.80 MAPT (0.60) MEN1KMT2AMAPTCSNK2A2CSNK2B
SCHEMBL6252757 0.78 ALOX5 (0.67) MEN1KMT2AMAPTCSNK2A2CSNK2B
SCHEMBL7238814 0.74 RAB9A (0.64) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL24107602 0.74 ADORA3 (0.71) MEN1KMT2AMAPTMPLADORA3
SCHEMBL24107726 0.74 ADORA3 (0.71) MEN1KMT2AMAPTMPLADORA3
SCHEMBL24090295 0.73 LMNA (0.71) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL24107621 0.73 LMNA (0.65) MEN1KMT2AMAPTMPLADORA3
SCHEMBL2753997 0.73 KMT2A (0.73) MEN1KMT2AMAPTCSNK2A1ADORA3

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-6900219-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. (US) 2005-05-31 US disclosed
US-20030220356-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-11-27 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-20030220356-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 MEN1 4471/4885KMT2A 3796/4885MAPT 4100/4885

“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.