SCHEMBL5410171

SCHEMBL5410171

Cc1cc([N+](=O)[O-])ccc1NCCNC(=O)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.56
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
LMNA P02545 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GLA P06280 1/20 0.56
HPGD P15428 1/20 0.56
ALOX12 P18054 1/20 0.56
MAPT P10636 10/20 0.53
HTT P42858 6/20 0.53
MAPK1 P28482 1/20 0.53
GAA P10253 1/20 0.52
CRHBP P24387 2/20 0.51
CRHR2 Q13324 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
RECQL P46063 1/20 0.51

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
SCHEMBL11677373 0.83 MAPT (0.54) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL5623968 0.80 ALDH1A1 (0.84) ALDH1A1MEN1KMT2ASMN1; SMN2GLA
SCHEMBL5412897 0.79 CYP1A2 (0.43) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL13232257 0.78 MAPT (0.61) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL9682978 0.78 KMT2A (0.65) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4954687 0.78 MAPT (0.64) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4952994 0.77 MAPT (0.62) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4951801 0.77 MAPT (0.62) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4862815 0.76 KMT2A (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL14003611 0.76 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7311737-B2 Secondary para-phenylenediamine compounds comprising N-alkylfluorine, dye compositions comprising them and processes of dyeing therewith L'OREAL (FR) 2007-12-25 US disclosed
US-7311737-B2 Secondary para-phenylenediamine compounds comprising N-alkylfluorine, dye compositions comprising them and processes of dyeing therewith L'OREAL (FR) 2007-12-25 US disclosed
US-7311737-B2 Secondary para-phenylenediamine compounds comprising N-alkylfluorine, dye compositions comprising them and processes of dyeing therewith L'OREAL (FR) 2007-12-25 US disclosed
US-20060021157-A1 Secondary para-phenylenediamine compounds comprising N-alkylfluorine, dye compositions comprising them and processes of dyeing therewith L'OREAL S.A. (FR) 2006-02-02 US disclosed
EP-1568682-A1 Secondary N-fluoroalkyl-para-phenylenediamines, dye compositions containing them, processes and uses L'OREAL (FR) 2005-08-31 EP 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-20060021157-A1 Secondary para-phenylenediamine compounds comprising N-alkylfluorine, dye compositions comprising them and processes of dyeing therewith KRT18, CDC73, FLNA ALDH1A1 711/4885MEN1 2336/4885KMT2A 968/4885

“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.