SCHEMBL2940469

SCHEMBL2940469

Oc1cccc(N2CCCC2O)c1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.32
MEN1 O00255 4/20 0.32
GAA P10253 3/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NR1I2 O75469 3/20 0.32
SMARCA2 P51531 3/20 0.32
SMARCA4 P51532 3/20 0.32
PBRM1 Q86U86 3/20 0.32
NR1H2 P55055 2/20 0.32
IDH2 P48735 3/20 0.31
PGR P06401 1/20 0.31
PDK2 Q15119 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31

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
SCHEMBL2943119 0.82 CCNE2 (0.46) KMT2AMEN1ALDH1A1NR1I2SMARCA2
SCHEMBL2932827 0.81 KMT2A (0.48) KMT2AMEN1MAPTALDH1A1NOTUM
SCHEMBL2936113 0.80 MEN1 (0.36) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL2935899 0.80 CCNE2 (0.37) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL2940803 0.78 ROCK2 (0.40) NR1I2SMARCA2SMARCA4PBRM1NR1H2
SCHEMBL2941629 0.77 DRD2 (0.38) KMT2AMEN1GAANR1I2SMARCA2
SCHEMBL2934910 0.77 TSHR (0.37) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL30397532 0.77 TSHR (0.37) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL2941156 0.74 MAPT (0.40) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL2940337 0.73 IDH2 (0.42) KMT2AMEN1MAPTALDH1A1SMARCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491244-B2 Oxidizing hair coloring agents containing m-aminophenol derivatives THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US claimed
WO-2007020565-A1 OXIDIZING HAIR COLORING AGENTS CONTAINING M-AMINOPHENOL DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 2007-02-22 WO claimed
US-20070033745-A1 Developer substance-coupler substance of 3-(1-pyrrolidinyl)phenol and 1,4-diaminobenzene PROCTER & GAMBLE COMPANY, THE 2007-02-15 US claimed
EP-1752192-A1 Oxidizing hair coloring agents containing m-Aminophenol derivatives Wella Aktiengesellschaft (DE) 2007-02-14 EP claimed
EP-1752192-B1 Oxidizing hair coloring agents containing m-Aminophenol derivatives PROCTER & GAMBLE (US) 2010-02-03 EP disclosed
US-7491244-B2 Oxidizing hair coloring agents containing m-aminophenol derivatives THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
WO-2007020565-A1 OXIDIZING HAIR COLORING AGENTS CONTAINING M-AMINOPHENOL DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 2007-02-22 WO disclosed
US-20070033745-A1 Developer substance-coupler substance of 3-(1-pyrrolidinyl)phenol and 1,4-diaminobenzene PROCTER & GAMBLE COMPANY, THE 2007-02-15 US disclosed
EP-1752192-A1 Oxidizing hair coloring agents containing m-Aminophenol derivatives Wella Aktiengesellschaft (DE) 2007-02-14 EP 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-20070033745-A1 Developer substance-coupler substance of 3-(1-pyrrolidinyl)phenol and 1,4-diaminobenzene TACR1, KRT18, AKR1C4 KMT2A 2065/4885MEN1 3075/4885GAA 4835/4885

“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.