SCHEMBL1124985

SCHEMBL1124985

C=CCN1C(=O)C(=Cc2ccc(C=O)cc2)SC1=S

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 1/20 0.74
▸ MAX P61244 1/20 0.74
▸ ALDH1A1 P00352 4/20 0.68
▸ SMN1; SMN2 Q16637 2/20 0.68
▸ HSD17B3 P37058 1/20 0.65
▸ DNM1 Q05193 1/20 0.61
▸ SYK P43405 1/20 0.55
▸ PDE4B Q07343 1/20 0.53
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ POLB P06746 2/20 0.52
▸ PTPN12 Q05209 1/20 0.51
▸ PTPN22 Q9Y2R2 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MAPT P10636 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ MITF O75030 1/20 0.51
▸ NCOA3 Q9Y6Q9 1/20 0.51
▸ MAPK1 P28482 2/20 0.50

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
SCHEMBL1124983 1.00 MYC (0.74) MYCMAXALDH1A1SMN1; SMN2HSD17B3
SCHEMBL20816067 0.85 MYC (1.00) MYCMAXALDH1A1SMN1; SMN2HSD17B3
SCHEMBL20816065 0.85 MYC (1.00) MYCMAXALDH1A1SMN1; SMN2HSD17B3
SCHEMBL15330387 0.80 PTPN12 (0.79) MEN1KMT2APTPN12PTPN22
SCHEMBL15330386 0.80 PTPN12 (0.79) MEN1KMT2APTPN12PTPN22
SCHEMBL8205852 0.79 HSD17B3 (0.62) MYCMAXALDH1A1SMN1; SMN2HSD17B3
SCHEMBL8205853 0.79 HSD17B3 (0.62) MYCMAXALDH1A1SMN1; SMN2HSD17B3
SCHEMBL20005672 0.78 MAPK1 (0.72) MYCMAXALDH1A1SMN1; SMN2HSD17B3
SCHEMBL18103053 0.78 MAPK1 (0.72) MYCMAXALDH1A1SMN1; SMN2HSD17B3
SCHEMBL18545476 0.77 CISD1 (0.55) MYCMAXALDH1A1MEN1KMT2A

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
EP-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 — — EP disclosed
US-7576215-B2 Quinolines and pharmaceutical compositions thereof WYETH (US) 2009-08-18 — — US disclosed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 — — EP disclosed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 — — WO disclosed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 2005-06-16 — — 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-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 MYC 3980/4885MAX 4518/4885ALDH1A1 1202/4885

“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.

Send feedback