SCHEMBL4423271

SCHEMBL4423271

Nc1cc2c(ccc3[nH]c(N4CCCC4)cc32)o1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
AGTR1 P30556 1/20 0.34
MAP2K7 O14733 2/20 0.33
GAA P10253 2/20 0.33
JAK2 O60674 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
LMNA P02545 3/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
S1PR2 O95136 1/20 0.32
STAT6 P42226 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PRKDC P78527 1/20 0.32
AR P10275 1/20 0.32
KIF11 P52732 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL5036880 0.79 LMNA (0.36) ALDH1A1L3MBTL1SMN1; SMN2LMNAHRH4
SCHEMBL4416709 0.79 MAP2K7 (0.37) ALDH1A1MAP2K7JAK2SMN1; SMN2LMNA
SCHEMBL4423430 0.75 PRKDC (0.39) ALDH1A1AGTR1GAAL3MBTL1SMN1; SMN2
SCHEMBL4420696 0.75 MAPT (0.37) ALDH1A1GAASMN1; SMN2MAPTKDM4E
SCHEMBL4423402 0.74 MAP2K7 (0.34) ALDH1A1MAP2K7GAAJAK2L3MBTL1
SCHEMBL4428240 0.72 ALDH1A1 (0.35) ALDH1A1AGTR1GAAL3MBTL1SMN1; SMN2
SCHEMBL4430553 0.72 CDK5 (0.38) ALDH1A1GAASMN1; SMN2MAPTKDM4E
SCHEMBL4420022 0.70 MAPT (0.48) ALDH1A1GAAL3MBTL1SMN1; SMN2MAPT
SCHEMBL4415664 0.66 KDM4E (0.34) ALDH1A1GAAMAPTKDM4EAR
SCHEMBL4423923 0.65 KMT2A (0.40) ALDH1A1GAASMN1; SMN2MAPTKDM4E

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 ALDH1A1 657/4885AGTR1 4560/4885MAP2K7 2589/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 ALDH1A1 657/4885AGTR1 4560/4885MAP2K7 2589/4885

“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.