SCHEMBL5408045

SCHEMBL5408045

Nc1ccc(NCCNC(=O)C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GLA P06280 1/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
POLB P06746 2/20 0.47
CA3 P07451 2/20 0.46
CA5A P35218 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CA12 O43570 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PTGS1 P23219 2/20 0.41
MAPT P10636 3/20 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
SCHEMBL5409961 0.89 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2GLAHPGDALOX12
SCHEMBL8180773 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2GLAHPGDALOX12
SCHEMBL7994942 0.80 MAPT (0.45) ALDH1A1ALOX12POLBMEN1KMT2A
SCHEMBL11678658 0.80 MAPT (0.45) ALDH1A1POLBMEN1KMT2APTGS1
SCHEMBL4700346 0.79 ESRRG (0.54) ALDH1A1SMN1; SMN2POLBCA3CA5A
SCHEMBL10826205 0.79 MTNR1A (0.50) ALDH1A1SMN1; SMN2GLAPOLBMEN1
Hydrochloric Acid SCHEMBL7334449 0.78 ESRRG (0.52) ALDH1A1SMN1; SMN2POLBCA3CA5A
SCHEMBL5623968 0.78 ALDH1A1 (0.84) ALDH1A1SMN1; SMN2GLAHPGDALOX12
SCHEMBL5412897 0.77 CYP1A2 (0.43) ALDH1A1SMN1; SMN2GLAHPGDALOX12
SCHEMBL180817 0.77 APP (0.55) ALDH1A1ALOX12MEN1KMT2AMAPT

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 8 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 claimed
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 claimed
EP-1568682-A1 Secondary N-fluoroalkyl-para-phenylenediamines, dye compositions containing them, processes and uses L'OREAL (FR) 2005-08-31 EP claimed
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 711/4885SMN1; SMN2 4763/4885GLA 1820/4885

“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.