SCHEMBL6252950

SCHEMBL6252950

O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.63
MEN1 O00255 1/20 0.63
MAPT P10636 1/20 0.63
KMT2A Q03164 1/20 0.63
MPL P40238 2/20 0.61
RAB9A P51151 2/20 0.60
NPC1 O15118 1/20 0.60
CSNK2A1 P68400 2/20 0.59
CSNK2A2 P19784 1/20 0.59
CSNK2B P67870 1/20 0.59
CSNK2A3 Q8NEV1 1/20 0.59
ADORA3 P0DMS8 1/20 0.58
RRM1 P23921 2/20 0.56
RRM2B Q7LG56 2/20 0.56
GSTO1 P78417 1/20 0.56
SCD O00767 1/20 0.54
TDP1 Q9NUW8 1/20 0.52
PARP1 P09874 1/20 0.51

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
SCHEMBL20512983 0.88 KDM4E (0.69) KDM4EMEN1MAPTKMT2ARAB9A
SCHEMBL6252757 0.85 ALOX5 (0.67) KDM4EMEN1MAPTKMT2AMPL
SCHEMBL5732213 0.83 RAB9A (0.70) KDM4EMEN1MAPTKMT2ARAB9A
SCHEMBL6330254 0.82 MEN1 (0.56) MEN1MAPTKMT2AMPLNPC1
SCHEMBL6248973 0.81 MAPT (0.67) KDM4EMEN1MAPTKMT2AMPL
SCHEMBL16603984 0.81 RAB9A (0.76) KDM4EMEN1MAPTKMT2ARAB9A
SCHEMBL3341387 0.77 MAPT (0.60) KDM4EMEN1MAPTKMT2ARAB9A
SCHEMBL7235764 0.77 RAB9A (0.77) KDM4EMEN1MAPTKMT2ARAB9A
SCHEMBL30581066 0.76 RAB9A (0.78) KDM4EMEN1MAPTKMT2ARAB9A
SCHEMBL4876734 0.76 MPL (1.00) MPL

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 4 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
EP-1513534-A2 COMPOUNDS FOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2005-03-16 EP disclosed
US-20030220356-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-11-27 US disclosed
WO-2003084544-A2 COMPOUNDS DOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2003-10-16 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 (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 KDM4E 4506/4885MEN1 4471/4885MAPT 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.