SCHEMBL6251427

SCHEMBL6251427

O=CN(c1nccs1)c1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
SCD O00767 1/20 0.38
RBP4 P02753 1/20 0.36
NFE2L2 Q16236 1/20 0.33
GAA P10253 3/20 0.32
KDM4E B2RXH2 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
SCN9A Q15858 1/20 0.31
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31
TSHR P16473 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL6251789 0.74 FBP1 (0.42) CYP3A4
SCHEMBL9280655 0.74 PDPK1 (0.39) ALDH1A1GAAKDM4ETRPM8TSHR
SCHEMBL12503021 0.69 SCD (0.47) ALDH1A1TDP1SCDRBP4GAA
SCHEMBL6228985 0.69 KCNA5 (0.36) CYP3A4
SCHEMBL6337931 0.68 KMT2A (0.31)
SCHEMBL28308906 0.67 TRPM8 (0.33) TRPM8
SCHEMBL2093135 0.65 ESR1 (0.38) ALDH1A1TDP1GAATSHRCYP1A2
SCHEMBL3058083 0.63 ALDH1A1 (0.51) ALDH1A1TDP1SCDKDM4ETSHR
SCHEMBL6167615 0.63 ALDH1A1 (0.32) ALDH1A1TSHRHSD17B10
SCHEMBL4069466 0.62 NFKB1 (0.41) ALDH1A1RBP4GAA

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 ALDH1A1 399/4885TDP1 1481/4885SCD 815/4885

“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.