SCHEMBL2378488

SCHEMBL2378488

O=[N+]([O-])c1cccc(NCCN2CCOCC2)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
ALDH1A1 P00352 4/20 0.58
MEN1 O00255 3/20 0.56
POLB P06746 3/20 0.56
PKM P14618 2/20 0.56
MAPT P10636 1/20 0.56
PIK3CA P42336 1/20 0.54
MTOR P42345 1/20 0.54
LMNA P02545 2/20 0.54
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL5903469 0.93 POLB (0.66) KMT2AALDH1A1MEN1POLBPKM
SCHEMBL4189768 0.88 CYP1A2 (0.58) KMT2AALDH1A1MEN1POLBMAPT
SCHEMBL13872559 0.87 KMT2A (0.50) KMT2AALDH1A1MEN1POLBLMNA
SCHEMBL4196076 0.86 ALDH1A1 (0.53) KMT2AALDH1A1MEN1POLBPKM
SCHEMBL2378489 0.84 PKM (0.66) KMT2AALDH1A1MEN1POLBPKM
SCHEMBL27337231 0.84 ABL1 (0.58) KMT2AALDH1A1MEN1POLBPKM
SCHEMBL15546620 0.80 PKM (0.66) KMT2AALDH1A1MEN1POLBPKM
SCHEMBL28024114 0.78 POLB (0.73) KMT2AALDH1A1MEN1POLBMTOR
SCHEMBL5813426 0.78 ALDH1A1 (0.87) KMT2AALDH1A1MEN1POLBPKM
SCHEMBL22995880 0.78 ALDH1A1 (0.55) KMT2AALDH1A1MEN1POLBPKM

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
US-20060016023-A1 Novel m-phenylenediamine derivatives as coupler components for the colouring of keratin fibres HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-01-26 US claimed
EP-1575538-A1 NOVEL M- PHENYLENDIAMINE DERIVATIVES AS COUPLER COMPONENTS FOR THE COLOURING OF KERATIN FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2005-09-21 EP claimed
WO-2004058201-A1 NOVEL M- PHENYLENDIAMINE DERIVATIVES AS COUPLER COMPONENTS FOR THE COLOURING OF KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 WO claimed
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP disclosed
US-7135047-B2 M-phenylenediamine derivatives as coupler components for the coloring of keratinic fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-11-14 US disclosed
US-20060016023-A1 Novel m-phenylenediamine derivatives as coupler components for the colouring of keratin fibres HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-01-26 US disclosed
EP-1575538-A1 NOVEL M- PHENYLENDIAMINE DERIVATIVES AS COUPLER COMPONENTS FOR THE COLOURING OF KERATIN FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2005-09-21 EP disclosed
WO-2004058201-A1 NOVEL M- PHENYLENDIAMINE DERIVATIVES AS COUPLER COMPONENTS FOR THE COLOURING OF KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 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 (2 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-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 KMT2A 2799/4885ALDH1A1 2102/4885MEN1 2881/4885
US-20060016023-A1 Novel m-phenylenediamine derivatives as coupler components for the colouring of keratin fibres KRT18, VIM, TPM4 KMT2A 623/4885ALDH1A1 2258/4885MEN1 1295/4885

“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.