SCHEMBL5837215

SCHEMBL5837215

Nc1ccc(-n2ccc(NCCCn3ccnc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SOD1 P00441 3/20 0.47
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ QPCT Q16769 8/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL5842900 0.99 SOD1 (0.46) SOD1LMNAMAPTQPCTNPC1
SCHEMBL2539814 0.86 SOD1 (0.57) SOD1QPCTNPC1RAB9AATM
Hydrochloric Acid SCHEMBL5191266 0.84 SOD1 (0.56) SOD1QPCTNPC1RAB9AATM
SCHEMBL5837274 0.83 MAOA (0.58) SOD1MAPTQPCTNPC1RAB9A
SCHEMBL5903394 0.74 NPC1 (0.55) SOD1MAPTQPCTNPC1RAB9A
SCHEMBL11495035 0.73 SOD1 (0.67) SOD1QPCTNPC1RAB9AATM
SCHEMBL27418532 0.72 HMOX1 (0.61) SOD1LMNAQPCTNPC1RAB9A
SCHEMBL5754898 0.71 NPC1 (0.47) SOD1LMNAMAPTQPCTNPC1
SCHEMBL24349153 0.71 TOP1 (0.43) SOD1LMNAMAPTQPCTNPC1
SCHEMBL291484 0.71 QPCT (0.54) SOD1LMNAQPCTNPC1RAB9A

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 4 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-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 disclosed
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 SOD1 3425/4885LMNA 451/4885MAPT 1211/4885

“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.

Send feedback