SCHEMBL2937385

SCHEMBL2937385

Oc1cccc(N2CCCC2)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.42
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
HTT P42858 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TLR9 Q9NR96 1/20 0.42
MAPK1 P28482 3/20 0.41
GAA P10253 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
NR1I2 O75469 2/20 0.41
SMARCA2 P51531 2/20 0.41
SMARCA4 P51532 2/20 0.41
PBRM1 Q86U86 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
APEX1 P27695 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL24309751 0.83 DRD2 (0.50) MAPTL3MBTL1HTTKMT2AMAPK1
SCHEMBL27921167 0.83 HPGD (0.51) MAPTL3MBTL1MEN1KMT2AMAPK1
SCHEMBL5716237 0.79 DRD2 (0.47) KEAP1MAPTL3MBTL1HTTMEN1
SCHEMBL1010647 0.79 GAA (0.60) KEAP1MAPTL3MBTL1HTTMEN1
SCHEMBL5716359 0.78 NPSR1 (0.49) KEAP1L3MBTL1HTTMEN1KMT2A
SCHEMBL1008507 0.77 GAA (0.58) KEAP1MAPTL3MBTL1HTTMEN1
SCHEMBL10963124 0.76 MEN1 (0.52) KEAP1MAPTL3MBTL1HTTMEN1
SCHEMBL12176173 0.76 GAA (0.47) KEAP1MAPTL3MBTL1HTTMEN1
SCHEMBL2943392 0.76 L3MBTL1 (0.47) KEAP1MAPTL3MBTL1HTTMEN1
SCHEMBL2940793 0.76 MEN1 (0.49) KEAP1MAPTL3MBTL1HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KEAP1 239/4885MAPT 2140/4885L3MBTL1 4839/4885

“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.