SCHEMBL1638440

SCHEMBL1638440

CCCN(CCC)Cc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2N)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.52
LNPEP Q9UIQ6 6/20 0.48
ERAP2 Q6P179 1/20 0.48
CREBBP Q92793 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
BCHE P06276 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
MEP1B Q16820 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL1638227 0.86 LOXL2 (0.44) HDAC1LNPEPERAP2LOXL2KDM4E
SCHEMBL1638524 0.84 LOXL2 (0.59) LOXL2KDM4EALDH1A1MEP1BCYP4F2
SCHEMBL1638230 0.80 LOXL2 (0.45) LNPEPLOXL2KDM4EALDH1A1TLR7
SCHEMBL3350068 0.80 CYP4F2 (0.59) LOXL2KDM4EALDH1A1LMNAMEP1B
SCHEMBL4921514 0.77 HDAC1 (0.73) HDAC1LNPEPKDM4EHDAC3HDAC2
SCHEMBL6542725 0.76 HDAC1 (0.58) HDAC1LNPEPERAP2CREBBPALDH1A1
SCHEMBL10106423 0.75 LOXL2 (0.64) LOXL2BCHEKDM4EALDH1A1MEP1B
SCHEMBL1637219 0.73 HDAC1 (0.50) HDAC1ALDH1A1LMNAHDAC3HDAC2
SCHEMBL22145186 0.73 LOXL2 (0.54) LOXL2BCHEKDM4EALDH1A1TLR7
SCHEMBL23500526 0.72 HDAC1 (0.64) HDAC1CREBBPHDAC3HDAC2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724263-B1 BASIC AMINE COMPOUND AND USE THEREOF KUREHA CORP (JP) 2014-03-05 EP disclosed
US-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US disclosed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 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 (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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 HDAC1 582/4885LNPEP 4384/4885ERAP2 3676/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 HDAC1 366/4885LNPEP 4503/4885ERAP2 3789/4885

“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.