SCHEMBL5736741

SCHEMBL5736741

O=C(O)C=Cc1ccc(C(=C2C(=O)NNC2=O)c2ccc(I)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.44
ESR2 Q92731 3/20 0.44
HCAR2 Q8TDS4 2/20 0.44
CA12 O43570 2/20 0.44
AKR1B10 O60218 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA3 P07451 2/20 0.44
AKR1B1 P15121 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
DPP4 P27487 2/20 0.44
CA5A P35218 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
PKM P14618 1/20 0.44
TYR P14679 1/20 0.44
HDAC3 O15379 2/20 0.42

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
SCHEMBL6622078 1.00 ESR1 (0.44) ESR1ESR2HCAR2CA12AKR1B10
SCHEMBL6616683 0.82 CYSLTR2 (0.40) ESR1CA12AKR1B10CA1CA2
SCHEMBL5738247 0.80 TPMT (0.61) CA12CA1CA2CA3CA4
SCHEMBL767486 0.79 HCAR2 (0.65) ESR1ESR2HCAR2CA12AKR1B10
SCHEMBL557028 0.79 HCAR2 (0.65) ESR1ESR2HCAR2CA12AKR1B10
SCHEMBL5735738 0.76 MAOB (0.54) ESR1HDAC1HDAC8SRD5A2KDM4E
SCHEMBL6617928 0.76 MAOB (0.54) ESR1HDAC1HDAC8SRD5A2KDM4E
SCHEMBL5734568 0.72 TPMT (0.46) CA12CA1CA2CA6CA9
SCHEMBL5735238 0.70 CA2 (0.41) CA12CA1CA2CA3CA6
SCHEMBL713717 0.70 HCAR2 (0.81) ESR1ESR2HCAR2CA12AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399156-B1 ALKYLIDENE PIRAZOLIDINEDIONE DERIVATIVES AND THEIR USE FOR TREATING DIABETES AND OBESITY APPLIED RESEARCH SYSTEMS (AN) 2006-11-22 EP claimed
US-20040220188-A1 Alkylidene pyrazolidinedione derivatives LABORATOIRES SERONO SA (CH) 2004-11-04 US claimed
EP-1399156-B1 ALKYLIDENE PIRAZOLIDINEDIONE DERIVATIVES AND THEIR USE FOR TREATING DIABETES AND OBESITY APPLIED RESEARCH SYSTEMS (AN) 2006-11-22 EP disclosed
US-20040220188-A1 Alkylidene pyrazolidinedione derivatives LABORATOIRES SERONO SA (CH) 2004-11-04 US disclosed
EP-1399156-A2 ALKYLIDENE PIRAZOLIDINEDIONE DERIVATIVES AND THEIR USE FOR TREATING DIABETES AND OBESITY Applied Research Systems ARS Holding N.V. (AN) 2004-03-24 EP disclosed
WO-2002102359-A2 ALKYLIDENE PYRAZOLIDINEDIONE DERIVATIVES AND USE FOR TREATING DIABETES AND OBESITY APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-12-27 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-20040220188-A1 Alkylidene pyrazolidinedione derivatives G6PC1, PPM1D, PTPRS ESR1 2024/4885ESR2 1656/4885HCAR2 3995/4885

“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.