SCHEMBL5837987

SCHEMBL5837987

Cc1cc(-n2ccc(-n3ccnc3)c2)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
ADH5 P11766 3/20 0.45
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
CYP19A1 P11511 2/20 0.44
IDO1 P14902 2/20 0.42
ENPP2 Q13822 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
NOTUM Q6P988 1/20 0.41
HDAC1 Q13547 1/20 0.41
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
PDE2A O00408 1/20 0.40
CYP3A4 P08684 2/20 0.40
BAZ2B Q9UIF8 1/20 0.40

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
SCHEMBL993223 0.91 LMNA (0.58) LMNAMAPTADH5CYP11B1CYP11B2
Imidazole SCHEMBL10464054 0.80 LMNA (0.45) LMNAMAPTADH5CYP11B1CYP11B2
SCHEMBL5836930 0.79 MAPT (0.79) LMNAMAPTADH5CYP11B1CYP11B2
SCHEMBL5837430 0.78 KDM4E (0.38) MAPTCYP3A4
SCHEMBL3490259 0.76 LMNA (0.63) LMNAMAPTCYP11B1CYP11B2CYP19A1
SCHEMBL12117429 0.76 CYP11B1 (0.56) LMNAMAPTADH5CYP11B1CYP11B2
SCHEMBL5836583 0.76 NOTUM (0.41) MAPTNOTUMCYP3A4
SCHEMBL29495237 0.75 LMNA (0.58) LMNAMAPTCYP11B1CYP11B2CYP19A1
SCHEMBL5836614 0.72 GAA (0.49) LMNAMAPTCYP3A4
SCHEMBL1449607 0.72 LMNA (0.58) LMNAMAPTADH5CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132534-B2 Para-phenylenediamine derivatives containing a pyrrolidyl group, and use of these derivatives for coloring keratin fibers L'OREAL (FR) 2006-11-07 US claimed
US-20040077852-A1 Para-phenylenediamine derivatives containing a pyrrolidyl group, and use of these derivatives for coloring keratin fibers L'OREAL S.A. (FR) 2004-04-22 US claimed
US-20040077852-A1 Para-phenylenediamine derivatives containing a pyrrolidyl group, and use of these derivatives for coloring keratin fibers L'OREAL S.A. (FR) 2004-04-22 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-20040077852-A1 Para-phenylenediamine derivatives containing a pyrrolidyl group, and use of these derivatives for coloring keratin fibers KRT18, CDC73, VIM LMNA 451/4885MAPT 1211/4885ADH5 963/4885

“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.