SCHEMBL7602927

SCHEMBL7602927

Cc1ccc(NCCO)c([N+](=O)[O-])c1.O=[N+]([O-])c1cc(Cl)ccc1NCCO

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.64
TDP1 Q9NUW8 5/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
ALDH1A1 P00352 4/20 0.62
NPSR1 Q6W5P4 1/20 0.62
KAT2B Q92831 2/20 0.60
POLB P06746 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KCNMA1 Q12791 1/20 0.55
TSHR P16473 1/20 0.54
PKM P14618 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
RECQL P46063 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL24076 0.92 KAT2B (0.69) MAPTTDP1L3MBTL1ALDH1A1KAT2B
SCHEMBL29377506 0.92 KAT2B (0.69) MAPTTDP1L3MBTL1ALDH1A1KAT2B
SCHEMBL112296 0.92 ALDH1A1 (0.68) MAPTTDP1L3MBTL1ALDH1A1NPSR1
SCHEMBL29580274 0.83 KAT2B (0.74) MAPTTDP1ALDH1A1KAT2BPOLB
SCHEMBL4858189 0.83 KAT2B (0.74) MAPTTDP1ALDH1A1KAT2BPOLB
SCHEMBL2796146 0.83 MAPT (0.66) MAPTTDP1L3MBTL1ALDH1A1NPSR1
SCHEMBL29580293 0.83 MAPT (0.66) MAPTTDP1L3MBTL1ALDH1A1NPSR1
SCHEMBL4863416 0.82 KAT2B (0.72) MAPTTDP1ALDH1A1KAT2BPOLB
SCHEMBL1520169 0.80 MAPT (0.64) MAPTTDP1L3MBTL1ALDH1A1NPSR1
SCHEMBL4640284 0.80 KAT2B (0.64) MAPTTDP1L3MBTL1ALDH1A1KAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020000012-A1 Compositions and methods for dyeing keratin fibers, especially hair WELLA AKTIENGESELLSCHAFT (DE) 2002-01-03 US 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-20020000012-A1 Compositions and methods for dyeing keratin fibers, especially hair KRT18, DSG1, KRTCAP2 MAPT 305/4885TDP1 3372/4885L3MBTL1 4812/4885

“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.