SCHEMBL6903539

SCHEMBL6903539

Nc1ccccc1N(C=S)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 2/20 0.48
HPGD P15428 2/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KEAP1 Q14145 1/20 0.48
TDP1 Q9NUW8 1/20 0.40
SIGMAR1 Q99720 7/20 0.40
HPRT1 P00492 1/20 0.38
CHEK1 O14757 1/20 0.34
NEK2 P51955 1/20 0.34
LIMK1 P53667 1/20 0.34
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
DHFR P00374 1/20 0.33
NR4A2 P43354 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6903434 0.83 ALDH1A1 (0.48) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL6314684 0.76 ALDH1A1 (0.58) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL6899849 0.74 EGFR (0.37) ALDH1A1CYP3A4HSD17B10KMT2ANPC1
SCHEMBL15561429 0.70 ALDH1A1 (0.50) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL7220660 0.70 BCL2L1 (0.38) ALDH1A1CYP3A4HPGDTSHRSIGMAR1
SCHEMBL972546 0.70 SIGMAR1 (0.47) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL4941999 0.68 ALDH1A1 (1.00) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL29413841 0.68 ALDH1A1 (1.00) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL9029 0.68 ALDH1A1 (1.00) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL6509235 0.66 SIGMAR1 (0.52) ALDH1A1CYP3A4HPGDTSHRHSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1478085-A ABCA-1 elevating compounds against coronary artery disease or atherosclerosis CV���ƹ�˾ 2004-02-25 CN disclosed
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 ALDH1A1 399/4885CYP3A4 1597/4885HPGD 1166/4885

“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.