SCHEMBL7809558

SCHEMBL7809558

CC(=O)Nc1cc(N2CCOCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 19/20 0.67
ALDH1A1 P00352 7/20 0.65
MAPK1 P28482 4/20 0.65
PKM P14618 1/20 0.62
NPSR1 Q6W5P4 2/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
TDP1 Q9NUW8 2/20 0.57
CCNA2 P20248 1/20 0.56
CDK2 P24941 1/20 0.56
CCNA1 P78396 1/20 0.56
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54

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
SCHEMBL5457891 0.90 MAPT (0.64) MAPTALDH1A1MAPK1PKMNPSR1
SCHEMBL25313017 0.89 MAPT (0.64) MAPTALDH1A1MAPK1PKMNPSR1
SCHEMBL22095026 0.84 MAPT (0.55) MAPTALDH1A1MAPK1NPSR1LMNA
SCHEMBL25315369 0.84 MAPT (0.64) MAPTALDH1A1MAPK1PKMNPSR1
SCHEMBL29524516 0.84 MAPT (0.64) MAPTALDH1A1MAPK1PKMNPSR1
SCHEMBL22778043 0.81 MAPT (0.79) MAPTALDH1A1MAPK1PKMNPSR1
SCHEMBL341354 0.81 MAPT (1.00) MAPTALDH1A1MAPK1PKMNPSR1
SCHEMBL28505774 0.80 MAPT (0.54) MAPTALDH1A1MAPK1PKMNPSR1
SCHEMBL1840936 0.79 ALDH1A1 (0.64) MAPTALDH1A1MAPK1NPSR1LMNA
SCHEMBL16943472 0.79 ALDH1A1 (0.53) MAPTALDH1A1MAPK1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010052156-A1 DYES HANS SCHWARZKOPF GMBH & CO. KG (DE) 2001-12-20 US disclosed
US-20010005914-A1 OXIDATION DYES ANDREAS J. BITTNER 2001-07-05 US disclosed
EP-0912160-A2 OXIDATION DYES Hans Schwarzkopf GmbH & Co. KG (DE) 1999-05-06 EP disclosed
EP-0910332-A2 DYES Hans Schwarzkopf GmbH & Co. KG (DE) 1999-04-28 EP disclosed
WO-1998001106-A2 OXIDATION DYES HANS SCHWARZKOPF GMBH & CO. KG (DE) 1998-01-15 WO disclosed
WO-1998001105-A2 DYES HANS SCHWARZKOPF GMBH & CO. KG (DE) 1998-01-15 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-20010052156-A1 DYES KRT18, OPRD1, HTR1D MAPT 4151/4885ALDH1A1 86/4885MAPK1 725/4885
US-20010005914-A1 OXIDATION DYES AOC1, CBR3, KRT18 MAPT 3633/4885ALDH1A1 26/4885MAPK1 817/4885

“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.