SCHEMBL7800552

SCHEMBL7800552

Nc1ccc([N+](=O)[O-])c(N2CCCC2)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.69
MAPT P10636 9/20 0.69
L3MBTL1 Q9Y468 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2C19 P33261 1/20 0.69
LMNA P02545 4/20 0.67
POLB P06746 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MAPK1 P28482 4/20 0.56
ALDH1A3 P47895 1/20 0.55
GAA P10253 2/20 0.54
CTSB P07858 1/20 0.54
AR P10275 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL3537059 0.98 ALDH1A1 (0.68) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL7809589 0.98 ALDH1A1 (0.68) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL7809573 0.87 ALDH1A1 (0.67) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL15016552 0.86 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL7809569 0.86 MAPT (0.64) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL7800525 0.86 MAPT (0.64) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL3537112 0.85 GAA (0.69) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL7805734 0.85 GAA (0.69) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL15041159 0.84 ALDH1A1 (0.50) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL30527838 0.83 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19

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-1998001105-A2 DYES HANS SCHWARZKOPF GMBH & CO. KG (DE) 1998-01-15 WO disclosed
WO-1998001106-A2 OXIDATION 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 ALDH1A1 86/4885MAPT 4151/4885L3MBTL1 4671/4885
US-20010005914-A1 OXIDATION DYES AOC1, CBR3, KRT18 ALDH1A1 26/4885MAPT 3633/4885L3MBTL1 4108/4885

“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.