SCHEMBL5191851

SCHEMBL5191851

O=C1C(=NO)C(=O)N(c2ccccc2)N1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ MGLL Q99685 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ GSK3A P49840 3/20 0.37
▸ GSK3B P49841 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36

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
SCHEMBL3074759 0.85 MGLL (0.43) KMT2AMEN1MGLLGAAESR1
SCHEMBL13628014 0.75 ALDH1A1 (0.61) KMT2AMEN1LMNAGAAMAPT
SCHEMBL6322887 0.75 ALDH1A1 (0.61) KMT2AMEN1LMNAGAAMAPT
SCHEMBL6322884 0.75 ALDH1A1 (0.61) KMT2AMEN1LMNAGAAMAPT
SCHEMBL9589536 0.73 CES1 (0.67) KMT2AMEN1LMNAGAAMAPT
SCHEMBL9589537 0.73 CES1 (0.67) KMT2AMEN1LMNAGAAMAPT
SCHEMBL11066138 0.72 KDM4E (0.38) KMT2AMEN1MAPK1MGLLABCB11
SCHEMBL2714721 0.71 MGLL (0.41) KMT2AMEN1MAPK1MGLLGSK3A
SCHEMBL21387159 0.71 MGLL (0.41) KMT2AMEN1MAPK1MGLLGSK3A
SCHEMBL13716111 0.71 NR1H4 (0.44) KMT2AMEN1MAPK1MGLLABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1707187-B1 Reductive colorant for keratin fibres WELLA AG (DE) 2007-08-01 — — EP claimed
EP-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 — — EP claimed
US-20060230548-A1 Reductive colorant for keratin fibres THE PROCTER & GAMBLE COMPANY 2006-10-19 — — US claimed
WO-2006107595-A1 REDUCTIVE COLORANT FOR KERATIN FIBRES THE PROCTER & GAMBLE COMPANY (US) 2006-10-12 — — WO claimed
EP-1707187-A1 Reductive colorant for keratin fibres Wella Aktiengesellschaft (DE) 2006-10-04 — — EP claimed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 — — EP claimed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 — — WO claimed
EP-1707187-B1 Reductive colorant for keratin fibres WELLA AG (DE) 2007-08-01 — — EP disclosed
EP-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 — — EP disclosed
US-20060230548-A1 Reductive colorant for keratin fibres THE PROCTER & GAMBLE COMPANY 2006-10-19 — — US disclosed
EP-1707187-A1 Reductive colorant for keratin fibres Wella Aktiengesellschaft (DE) 2006-10-04 — — EP disclosed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 — — EP disclosed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 — — 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-20060230548-A1 Reductive colorant for keratin fibres KRT18, COX6C, CYC1 KMT2A 994/4885MEN1 4140/4885MAPK1 678/4885

“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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