SCHEMBL455890

SCHEMBL455890

NCCCNC(=O)c1ccc(N)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.58
HDAC4 P56524 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
HDAC5 Q9UQL6 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MAPT P10636 1/20 0.58
HIF1A Q16665 1/20 0.58
SLC22A6 Q4U2R8 1/20 0.58
SLC22A8 Q8TCC7 1/20 0.58
LMNA P02545 3/20 0.57
TSHR P16473 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPK1 P28482 2/20 0.57

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
SCHEMBL14159023 0.92 CYP1A2 (0.63) TSHRALDH1A1MAPK1CYP1A2NFKB1
SCHEMBL11230329 0.90 KDM4E (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12515200 0.90 KDM4E (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10536163 0.89 MAPK1 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9419699 0.89 MAPK1 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14097385 0.89 MAPK1 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11619588 0.89 TSHR (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL10614815 0.87 BLM (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3523157 0.86 MAPK1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9344489 0.86 KDM4E (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2

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 180 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1789399-A Soft compound and use thereof PROCTER & GAMBLE (US) 2006-06-21 CN claimed
EP-1095128-B1 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT PROCTER & GAMBLE (US) 2005-04-20 EP claimed
US-20050009727-A1 Laundry and cleaning compositions THE PROCTER & GAMBLE COMPANY (US) 2005-01-13 US claimed
US-20040116320-A1 Laundry and cleaning compositions THE PROCTER & GAMBLE COMPANY (US) 2004-06-17 US claimed
US-20030211963-A1 Laundry and cleaning compositions THE PROCTER & GAMBLE COMPANY 2003-11-13 US claimed
US-6566312-B2 A softener comprising a perfume which imparts a fresh fragrance to laundered fabrics and is long-lasting; reaction product of primary and or secondary amines and a ketone or aldehyde; time release agents PROCTER & GAMBLE COMPANY 2003-05-20 US claimed
US-20030064899-A1 Amine reaction compounds comprising one or more active ingredient THE PROCTER & GAMBLE COMPANY 2003-04-03 US claimed
CN-1335883-A Laundry and Cleaning Compositions PROCTER & GAMBLE (US) 2002-02-13 CN claimed
EP-1144566-A2 LAUNDRY AND CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-10-17 EP claimed
CN-1309690-A Amine reactive compounds comprising one or more active ingredients PROCTER & GAMBLE (US) 2001-08-22 CN claimed
EP-1095128-A1 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT THE PROCTER & GAMBLE COMPANY (US) 2001-05-02 EP claimed
WO-2000002991-A1 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT THE PROCTER & GAMBLE COMPANY (US) 2000-01-20 WO claimed
WO-2000002981-A2 LAUNDRY AND CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2000-01-20 WO claimed
EP-0971024-A1 Laundry and cleaning compositions THE PROCTER & GAMBLE COMPANY (US) 2000-01-12 EP claimed
EP-0971025-A1 Amine reaction compounds comprising one or more active ingredient THE PROCTER & GAMBLE COMPANY (US) 2000-01-12 EP claimed
US-20240206461-A1 DELIVERY PARTICLES WITH HIGH CORE:WALL RATIOS ENCAPSYS, LLC (US) 2024-06-27 US disclosed
US-12016963-B2 Freshening compositions with alkoxylated phenols THE PROCTER & GAMBLE COMPANY (US) 2024-06-25 US disclosed
EP-0971021-A1 Process for producing particles of amine reaction product THE PROCTER & GAMBLE COMPANY (US) 2000-01-12 EP disclosed
EP-0971025-A1 Amine reaction compounds comprising one or more active ingredient THE PROCTER & GAMBLE COMPANY (US) 2000-01-12 EP disclosed
EP-0971024-A1 Laundry and cleaning compositions THE PROCTER & GAMBLE COMPANY (US) 2000-01-12 EP 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-20240206461-A1 DELIVERY PARTICLES WITH HIGH CORE:WALL RATIOS CETP, CHMP4B, HDLBP HDAC3 1405/4885HDAC4 1631/4885HDAC1 474/4885

“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.