SCHEMBL6040679

SCHEMBL6040679

COc1cc(OCc2ccccn2)c(C=O)cc1-c1cccs1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 3/20 0.52
ERN1 O75460 3/20 0.44
SYK P43405 7/20 0.43
AURKB Q96GD4 2/20 0.42
INCENP Q9NQS7 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
PDE2A O00408 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2A1 P68400 1/20 0.39

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
SCHEMBL5560733 0.82 TNFRSF1A (0.57) TNFRSF1AERN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6040675 0.79 ERN1 (0.41) TNFRSF1AERN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6040650 0.79 NPC1 (0.54) ALDH1A1SMN1; SMN2
SCHEMBL5559926 0.79 ERN1 (0.49) TNFRSF1AERN1KDM4EALDH1A1
SCHEMBL6040428 0.79 ALDH1A1 (0.54) TNFRSF1AERN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6040581 0.78 TNFRSF1A (0.63) TNFRSF1A
SCHEMBL6040586 0.78 TNFRSF1A (0.63) TNFRSF1A
SCHEMBL6040725 0.78 ERN1 (0.50) TNFRSF1AERN1KDM4EALDH1A1
SCHEMBL6040751 0.78 ERN1 (0.46) TNFRSF1AERN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6040821 0.78 ERN1 (0.46) TNFRSF1AERN1KDM4EALDH1A1SMN1; SMN2

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 TNFRSF1A 3846/4885ERN1 1752/4885SYK 1575/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 TNFRSF1A 3023/4885ERN1 2696/4885SYK 1668/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 TNFRSF1A 3877/4885ERN1 1076/4885SYK 2066/4885

“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.