SCHEMBL3753307

SCHEMBL3753307

O=C(O)c1cccc(-c2ccc(-c3cccc(-c4ccc(-c5cccc(C(=O)O)n5)nn4)n3)nn2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
ACMSD Q8TDX5 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
ECE1 P42892 1/20 0.56
PDE4A P27815 2/20 0.50
PDE4B Q07343 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50
PADI1 Q9ULC6 1/20 0.50
PADI3 Q9ULW8 1/20 0.50
PADI4 Q9UM07 1/20 0.50
PADI2 Q9Y2J8 1/20 0.50
LMNA P02545 2/20 0.44
GNE Q9Y223 1/20 0.43
KMT2A Q03164 1/20 0.42
ERN1 O75460 1/20 0.41
MGAM O43451 1/20 0.41
NAPRT Q6XQN6 1/20 0.41

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
SCHEMBL1456359 0.98 KDM4E (0.64) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL143651 0.92 KDM4E (0.73) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL29355234 0.92 KDM4E (0.73) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL3754707 0.90 ECE1 (0.55) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL23069157 0.90 KDM4E (0.70) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL29446940 0.90 KDM4E (0.70) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL70765 0.89 KDM4E (0.76) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL29357675 0.89 KDM4E (0.76) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL1456823 0.86 KDM4E (0.58) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL14305402 0.84 KDM4E (0.52) KDM4EALOX15TSHRACMSDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034873-B2 Pyridazine and pyrrole compounds, processes for obtaining them and uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-05-19 US claimed
US-9034873-B2 Pyridazine and pyrrole compounds, processes for obtaining them and uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-05-19 US disclosed
US-9034873-B2 Pyridazine and pyrrole compounds, processes for obtaining them and uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-05-19 US disclosed
US-9034873-B2 Pyridazine and pyrrole compounds, processes for obtaining them and uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-05-19 US disclosed
US-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-11-25 US disclosed
US-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-11-25 US disclosed
US-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-11-25 US disclosed
EP-2069345-A2 PYRIDAZINE AND PYRROLE COMPOUNDS, PROCESSES FOR OBTAINING THEM AND USES Centre National de la Recherche Scientifique (CNRS) (FR) 2009-06-17 EP disclosed
WO-2008012440-A2 PYRIDAZINE AND PYRROLE COMPOUNDS, PROCESSES FOR OBTAINING THEM AND USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-01-31 WO disclosed
WO-2008012440-A2 PYRIDAZINE AND PYRROLE COMPOUNDS, PROCESSES FOR OBTAINING THEM AND USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-01-31 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-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses PPOX, PNPO, PLPBP KDM4E 2333/4885ALOX15 603/4885TSHR 3126/4885

“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.