SCHEMBL5458467

SCHEMBL5458467

O=[N+]([O-])c1cc(OCCO)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 12/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
RAF1 P04049 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
GFER P55789 1/20 0.49
PAX8 Q06710 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7206840 0.86 MAPT (0.47) VCAM1MAPTALDH1A1LMNARAF1
SCHEMBL1662868 0.85 MAPT (0.53) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL14290088 0.84 MAPT (0.64) VCAM1MAPTALDH1A1LMNARAF1
SCHEMBL9513657 0.84 MAPT (0.56) VCAM1MAPTALDH1A1LMNARAF1
SCHEMBL9525782 0.83 MAPK1 (0.50) MAPTALDH1A1LMNARAF1HPGD
SCHEMBL1181285 0.82 ALDH1A1 (0.44) VCAM1MAPTALDH1A1LMNARAF1
SCHEMBL14334126 0.81 ALDH1A1 (0.49) VCAM1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL1173706 0.81 MAPT (0.56) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL5465073 0.81 MAPT (0.50) MAPTALDH1A1LMNAHPGDMAPK1
SCHEMBL29960101 0.81 MAPT (0.56) MAPTALDH1A1LMNAHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 EP disclosed
EP-1018333-B1 Use of cationic monobenzene nitroanilines for dyeing keratin fibres , compositions and dyeing process OREAL (FR) 2006-03-01 EP disclosed
CN-1191051-C Application of cation mono-benzol nitrophenylamine in keratin fiber dyeing dye composition and dyeing method OREAL (FR) 2005-03-02 CN disclosed
US-6478827-B1 Use of cationic monobenzene nitroanilines in the dyeing of keratinous fibers, dyeing compositions and dyeing processes L'ORéAL S.A. (FR) 2002-11-12 US disclosed
CN-1267510-A Application of cation mono-benzol nitrophenylamine in keratin fiber dyeing dye composition and dyeing method OREAL (FR) 2000-09-27 CN disclosed
EP-1018333-A2 Use of cationic monobenzene nitroanilines for dyeing keratin fibres , compositions and dyeing process L'OREAL (FR) 2000-07-12 EP disclosed
US-5085666-A NITROANILINES AND HAIR-DYEING COMPOSITIONS IN WHICH THEY ARE PRESENT L'OREAL (FR) 1992-02-04 US disclosed
US-5026401-A Hair dyes L'OREAL (FR) 1991-06-25 US disclosed
US-4973757-A Process for the preparation of nitroanilines L'OREAL (FR) 1990-11-27 US disclosed
US-4637821-A HAIR, DYEING L'OREAL (FR) 1987-01-20 US disclosed
US-4417896-A NITRO-,AMINO-,PHENOXYALKANOLS SOCIETE ANONYME DITE: L'OREAL (FR) 1983-11-29 US disclosed
US-4337061-A NITRO DYES IN AQUEOUS SOLUTION SOCIETE ANONYME DITE: L'OREAL (FR) 1982-06-29 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-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 VCAM1 4865/4885MAPT 758/4885ALDH1A1 731/4885

“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.