SCHEMBL6476590

SCHEMBL6476590

CC(c1cc(N)ccc1N)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
AAK1 Q2M2I8 1/20 0.39
LGMN Q99538 2/20 0.38
KCNA5 P22460 1/20 0.37
BRAF P15056 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
DPP4 P27487 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LTA4H P09960 1/20 0.34
RAF1 P04049 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL5681454 0.84 HSP90AA1 (0.45) GAAMAPTSMN1; SMN2AAK1KCNA5
SCHEMBL6478580 0.83 ALDH1A1 (0.39) GAAMAPTNPC1RAB9AALDH1A1
SCHEMBL7745378 0.80 DPP4 (0.46) MAPTSMN1; SMN2AAK1KCNA5DPP4
SCHEMBL263756 0.76 LTA4H (0.49) SMN1; SMN2NPC1RAB9ACYP3A4TSHR
SCHEMBL1203109 0.74 CYP2D6 (0.46) GAAMAPTSMN1; SMN2KCNA5CYP3A4
SCHEMBL16272261 0.72 KCNA5 (0.45) GAAMAPTAAK1KCNA5DPP4
SCHEMBL15972043 0.70 OGA (0.41) GAAMAPTSMN1; SMN2KCNA5CYP3A4
SCHEMBL2950856 0.70 ACHE (0.51) SMN1; SMN2CYP3A4TSHRALDH1A1KDM4E
SCHEMBL13638740 0.69 LTA4H (0.38) AAK1CYP3A4TSHRCYP2C19ALDH1A1
SCHEMBL29433029 0.68 CASP1 (0.42) GAAMAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951574-B2 Primary intermediates for oxidative coloration of hair THE PROCTER & GAMBLE COMPANY (US) 2005-10-04 US disclosed
US-20040255403-A1 Primary intermediates for oxidative coloration of hair LIM MU-ILL (US) 2004-12-23 US disclosed
US-6780999-B2 Primary intermediates for oxidative coloration of hair THE PROCTER & GAMBLE COMPANY 2004-08-24 US disclosed
EP-1353895-A2 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-Clairol, Inc. (US) 2003-10-22 EP disclosed
US-20020144357-A1 Primary intermediates for oxidative coloration of hair WELLA OPERATIONS US, LLC 2002-10-10 US disclosed
WO-2002058632-A2 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-CLARIOL, INC. (US) 2002-08-01 WO 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 (2 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-20040255403-A1 Primary intermediates for oxidative coloration of hair COX5A, CYC1, MT-CO1 GAA 4142/4885MAPT 3727/4885SMN1; SMN2 4834/4885
US-20020144357-A1 Primary intermediates for oxidative coloration of hair COX5A, CYC1, MT-CO1 GAA 4142/4885MAPT 3727/4885SMN1; SMN2 4834/4885

“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.