SCHEMBL6040591

SCHEMBL6040591

O=Cc1cc(-c2cccs2)ccc1N1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.57
PRKDC P78527 2/20 0.44
HDAC3 O15379 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 4/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SRD5A1 P18405 1/20 0.41
ALDH1A1 P00352 3/20 0.40
ALDH1A3 P47895 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KCNH2 Q12809 1/20 0.40
SLC6A11 P48066 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
SCHEMBL28232716 0.89 ERN1 (0.54) ERN1PRKDCHDAC3HDAC1HDAC2
SCHEMBL6040894 0.77 TNFRSF1A (0.54)
SCHEMBL6040891 0.77 TNFRSF1A (0.54)
SCHEMBL6040584 0.75 ALDH1A3 (0.54) ERN1MEN1KMT2AALDH1A1ALDH1A3
SCHEMBL2762231 0.73 ERN1 (1.00) ERN1
SCHEMBL6040459 0.73 ERN1 (0.70) ERN1KCNH2SLC6A11
SCHEMBL6094179 0.73 HRH3 (0.56) ERN1SMN1; SMN2KCNH2
SCHEMBL16354040 0.72 ERN1 (0.42) ERN1HDAC3HDAC1HDAC2KCNH2
SCHEMBL3252872 0.71 HPGD (0.52) HDAC3HDAC1HDAC2MEN1KMT2A
SCHEMBL6093149 0.70 KDM4E (0.48) ERN1HDAC3HDAC1HDAC2MEN1

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 ERN1 1752/4885PRKDC 3563/4885HDAC3 440/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 ERN1 2696/4885PRKDC 2991/4885HDAC3 625/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 ERN1 1076/4885PRKDC 3873/4885HDAC3 601/4885

“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.