SCHEMBL5697243

SCHEMBL5697243

O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC(O)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
PKM P14618 1/20 0.60
GAA P10253 3/20 0.56
MAPT P10636 12/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
POLB P06746 1/20 0.54
MAPK1 P28482 3/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 4/20 0.53
HTT P42858 3/20 0.53
STAT3 P40763 1/20 0.53
THRB P10828 1/20 0.52
ALOX12 P18054 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL108993 0.86 KMT2A (0.62) KMT2AMEN1PKMGAAMAPT
SCHEMBL5697339 0.86 KMT2A (0.59) KMT2AMEN1PKMGAAMAPT
SCHEMBL29516649 0.86 KMT2A (0.62) KMT2AMEN1PKMGAAMAPT
SCHEMBL117698 0.84 KMT2A (0.66) KMT2AMEN1PKMGAAMAPT
SCHEMBL5052133 0.82 GAA (0.62) KMT2AMEN1PKMGAAMAPT
SCHEMBL7353123 0.80 KMT2A (0.61) KMT2AMEN1PKMGAAMAPT
SCHEMBL29392652 0.80 GAA (0.67) KMT2AMEN1PKMGAAMAPT
SCHEMBL112411 0.80 GAA (0.67) KMT2AMEN1PKMGAAMAPT
SCHEMBL7261922 0.79 GAA (0.66) KMT2AMEN1PKMGAAMAPT
SCHEMBL29653763 0.79 GAA (0.66) KMT2AMEN1PKMGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1117373-B1 HAIR TONIC WELLA AG (DE) 2004-07-14 EP claimed
US-20040062736-A1 Hair growth promoter DAMM PETER (DE) 2004-04-01 US claimed
US-20030031639-A1 Hair growth promoter Wella GmbH (DE) 2003-02-13 US claimed
US-6488922-B1 APPLYING 1-(N-(2'-NITRO-4'-TRIFLUOROMETHYLPHENYL)AMINO)-2,3-PROPYLENE TO SCALP WELLA AKTIENGESELLSCHAFT (DE) 2002-12-03 US claimed
EP-1117373-A1 HAIR TONIC Wella Aktiengesellschaft (DE) 2001-07-25 EP claimed
WO-2000019969-A1 HAIR TONIC WELLA AKTIENGESELLSCHAFT (DE) 2000-04-13 WO claimed
EP-1426034-B1 Hair growth tonic WELLA AG (DE) 2006-05-24 EP disclosed
EP-1117373-B1 HAIR TONIC WELLA AG (DE) 2004-07-14 EP disclosed
EP-1426034-A1 Hair growth tonic Wella Aktiengesellschaft (DE) 2004-06-09 EP disclosed
EP-1426034-A1 Hair growth tonic Wella Aktiengesellschaft (DE) 2004-06-09 EP disclosed
US-20040062736-A1 Hair growth promoter DAMM PETER (DE) 2004-04-01 US disclosed
US-6667028-B2 For promoting growth and/or reducing androgenic loss of hair WELLA AKTIENGESELLSCHAFT (DE) 2003-12-23 US disclosed
US-20030031639-A1 Hair growth promoter Wella GmbH (DE) 2003-02-13 US disclosed
US-6488922-B1 APPLYING 1-(N-(2'-NITRO-4'-TRIFLUOROMETHYLPHENYL)AMINO)-2,3-PROPYLENE TO SCALP WELLA AKTIENGESELLSCHAFT (DE) 2002-12-03 US disclosed
EP-1117373-A1 HAIR TONIC Wella Aktiengesellschaft (DE) 2001-07-25 EP disclosed
WO-2000019969-A1 HAIR TONIC WELLA AKTIENGESELLSCHAFT (DE) 2000-04-13 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-20040062736-A1 Hair growth promoter NR5A1, CYP21A2, CYP17A1 KMT2A 1487/4885MEN1 1295/4885PKM 4165/4885
US-20030031639-A1 Hair growth promoter NR5A1, CYP21A2, CYP17A1 KMT2A 1487/4885MEN1 1295/4885PKM 4165/4885

“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.