SCHEMBL14922067

SCHEMBL14922067

[N-]=[N+]=NCC(=O)c1ccc(Oc2cccc(C(=O)CN=[N+]=[N-])c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.50
▸ PARP15 Q460N3 1/20 0.50
▸ PARP14 Q460N5 1/20 0.50
▸ PARP10 Q53GL7 1/20 0.50
▸ TNKS2 Q9H2K2 1/20 0.50
▸ PARP2 Q9UGN5 1/20 0.50
▸ ERCC5 P28715 2/20 0.49
▸ FEN1 P39748 2/20 0.49
▸ AKR1C3 P42330 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ POLB P06746 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ KMO O15229 1/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ F2 P00734 1/20 0.39
▸ F10 P00742 1/20 0.39
▸ FURIN P09958 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
SCHEMBL13928758 0.83 CES2 (0.54) HDAC8NPC1POLBRAB9AKDM4E
SCHEMBL13525672 0.77 KMT2A (0.50) ERCC5FEN1HDAC8NPC1RAB9A
SCHEMBL564383 0.76 PARP10 (0.63) TNKSPARP15PARP14PARP10TNKS2
SCHEMBL203505 0.76 TNKS (0.58) TNKSPARP15PARP14PARP10TNKS2
SCHEMBL13071181 0.76 PARP10 (0.58) TNKSPARP15PARP14PARP10TNKS2
SCHEMBL14922097 0.76 HDAC3 (0.59) PARP10PARP2HDAC8NPC1RAB9A
SCHEMBL883109 0.76 TNKS (0.58) TNKSPARP15PARP14PARP10TNKS2
SCHEMBL23553623 0.75 ERCC5 (0.51) ERCC5FEN1SMN1; SMN2
SCHEMBL14492413 0.75 PARP1 (0.47) NPC1POLBRAB9AKDM4ESMN1; SMN2
SCHEMBL13977643 0.75 PTPN1 (0.56) HDAC8NPC1POLBRAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436036-B2 Diaryl ethers JANSSEN R&D IRELAND (IE) 2013-05-07 — — US disclosed
US-8436036-B2 Diaryl ethers JANSSEN R&D IRELAND (IE) 2013-05-07 — — US disclosed
US-20120034678-A1 Diaryl Ethers JANSSEN SCIENCES IRELAND UC (IE) 2012-02-09 — — US disclosed
US-20120034678-A1 Diaryl Ethers JANSSEN SCIENCES IRELAND UC (IE) 2012-02-09 — — US disclosed
WO-2010122162-A1 DIARYL ETHERS TIBOTEC PHARMACEUTICALS (IE) 2010-10-28 — — 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-20120034678-A1 Diaryl Ethers SLC10A1, CYP2F1, UGT1A1 TNKS 4311/4885PARP15 4244/4885PARP14 4470/4885

“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.

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