SCHEMBL4423402

SCHEMBL4423402

Nc1cc2c(ccc3[nH]c(N4CCCC4)cc32)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 3/20 0.34
AR P10275 1/20 0.33
LMNA P02545 3/20 0.33
KIF11 P52732 2/20 0.32
ALDH1A1 P00352 4/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
S100B P04271 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
JAK2 O60674 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL4416709 0.81 MAP2K7 (0.37) MAP2K7ARLMNAKIF11ALDH1A1
SCHEMBL5040152 0.79 LMNA (0.37) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL4420579 0.78 ALDH1A1 (0.35) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL4421167 0.75 AOC3 (0.35) KIF11ALDH1A1KMT2AMEN1MAPT
SCHEMBL4423271 0.74 ALDH1A1 (0.34) MAP2K7ARLMNAKIF11ALDH1A1
SCHEMBL4416701 0.73 LMNA (0.33) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL4424072 0.72 BCHE (0.32) PIM1
SCHEMBL4420659 0.72 BACE1 (0.43) ALDH1A1MAPTSMN1; SMN2PIM1
SCHEMBL17934683 0.68 BACE1 (0.41) ALDH1A1MAPTSMN1; SMN2PIM1
SCHEMBL4429357 0.67 AHR (0.33) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US claimed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 US claimed
EP-1720615-B1 COSMETIC HAIR DYEING COMPOSITIONS CONTAINING THEM AND USE THEREOF PROCTER & GAMBLE (US) 2009-12-30 EP disclosed
US-7468080-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-12-23 US disclosed
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof WELLA OPERATIONS US, LLC 2008-06-12 US disclosed
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US disclosed
EP-1720615-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-15 EP disclosed
WO-2005087187-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-09-22 WO disclosed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 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 (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-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 MAP2K7 2589/4885AR 879/4885LMNA 394/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 MAP2K7 2589/4885AR 879/4885LMNA 394/4885

“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.