SCHEMBL6040795

SCHEMBL6040795

COc1ccc(C(=O)NNC(=S)NCC(C)C)c(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.58
GAA P10253 5/20 0.54
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
ALPL P05186 1/20 0.48

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
SCHEMBL24801410 0.86 TP53 (1.00) TP53GAAHDAC3HDAC1HDAC2
SCHEMBL6040805 0.77 TP53 (0.73) TP53SMN1; SMN2GAAHDAC3HDAC1
SCHEMBL27594532 0.76 TP53 (0.64) TP53GAAHDAC3HDAC1HDAC2
SCHEMBL13761422 0.74 TP53 (0.68) TP53SMN1; SMN2GAAHDAC3HDAC1
SCHEMBL10793237 0.73 TP53 (0.71) TP53SMN1; SMN2GAAHDAC3HDAC1
SCHEMBL4939202 0.72 TP53 (0.66) TP53SMN1; SMN2GAAHDAC3HDAC1
SCHEMBL6503058 0.72 TP53 (0.61) TP53SMN1; SMN2GAAHDAC3HDAC1
SCHEMBL24598470 0.72 TP53 (0.74) TP53SMN1; SMN2GAARAB9AALDH1A1
SCHEMBL17847344 0.72 TP53 (0.74) TP53SMN1; SMN2GAARAB9AALDH1A1
SCHEMBL6504797 0.72 TP53 (0.69) TP53GAAHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189549-A1 Chalcone derivatives and their use to treat diseases NI LIMING 2006-08-24 US disclosed
US-7094801-B2 Chalcone derivatives and their use to treat diseases ATHEROGENICS, INC. (US) 2006-08-22 US disclosed
EP-1465854-A4 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS INC (US) 2005-06-08 EP disclosed
EP-1465854-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES Atherogenics, Inc. (US) 2004-10-13 EP disclosed
US-20040181075-A1 Process of making chalcone derivatives GENERAL ELECTRIC COMPANY 2004-09-16 US disclosed
WO-2004056727-A2 PROCESS OF MAKING CHALCONE DERIVATIVES ATHEROGENICS, INC. (US) 2004-07-08 WO disclosed
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CRABTREE ACQUISITION CO, LLC 2004-03-11 US disclosed
WO-2003053368-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2003-07-03 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 (3 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-20060189549-A1 Chalcone derivatives and their use to treat diseases CYP46A1, HSD17B7, CYP11B2 TP53 2660/4885SMN1; SMN2 2931/4885GAA 274/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 TP53 1496/4885SMN1; SMN2 4274/4885GAA 588/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 TP53 3147/4885SMN1; SMN2 2245/4885GAA 233/4885

“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.