SCHEMBL6901685

SCHEMBL6901685

O=[N+]([O-])c1ccccc1SCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 5/20 0.48
LMNA P02545 4/20 0.48
ALDH1A1 P00352 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 2/20 0.47
ALPG P10696 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 2/20 0.45
GSTP1 P09211 1/20 0.45
GSTM2 P28161 1/20 0.45
HTT P42858 2/20 0.44
MAOB P27338 1/20 0.42
ALOX15B O15296 1/20 0.42
PDE7A Q13946 1/20 0.42

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
SCHEMBL11086830 0.85 ALDH1A1 (0.62) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL5376331 0.84 MEN1 (0.65) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL27843773 0.79 ALDH1A1 (0.49) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL8996846 0.78 SMN1; SMN2 (0.51) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL9575567 0.77 HPGD (0.55) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL10498212 0.76 PDE7A (0.47) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL31274137 0.76 POLB (0.55) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL22587912 0.75 MEN1 (0.54) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL11270647 0.74 PDE7A (0.51) MEN1KMT2AMAPTLMNAALDH1A1
Trifluoromethylbenzene SCHEMBL27548389 0.73 ALDH1A1 (0.58) MEN1KMT2AMAPTLMNAALDH1A1

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
EP-1379517-A2 ABCA-1 ELEVATING COMPOUNDS AGAINST CORONARY ARTERY DISEASE OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2004-01-14 EP disclosed
US-6548548-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-04-15 US disclosed
US-20020111364-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2002-08-15 US disclosed
WO-2002046181-A2 ABCA-1 ELEVATING COMPOUNDS AGAINST CORONARY ARTERY DISEASE OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2002-06-13 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-20020111364-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.