SCHEMBL12460716

SCHEMBL12460716

N#Cc1ccc(OCCCCCN)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.57
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
MMP3 P08254 1/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
MMP2 P08253 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL4023331 1.00 HRH3 (0.57) HRH3HDAC1HDAC2MMP3ALDH1A1
SCHEMBL8487924 0.98 HRH3 (0.54) HRH3HDAC1HDAC2MMP3ALDH1A1
Hydrochloric Acid SCHEMBL8486073 0.96 HRH3 (0.53) HRH3HDAC1HDAC2MMP3ALDH1A1
SCHEMBL13093547 0.95 HDAC1 (0.58) HRH3HDAC1HDAC2MMP3ALDH1A1
SCHEMBL5139430 0.95 HDAC1 (0.58) HRH3HDAC1HDAC2MMP3ALDH1A1
SCHEMBL8833465 0.93 MMP3 (0.57) HRH3HDAC1HDAC2MMP3HRH2
SCHEMBL1715325 0.92 HRH3 (0.53) HRH3HDAC1HDAC2MMP3ALDH1A1
Hydrochloric Acid SCHEMBL4382750 0.90 HRH3 (0.51) HRH3HDAC1HDAC2MMP3ALDH1A1
SCHEMBL12408526 0.90 HRH3 (0.66) HRH3HDAC1HDAC2MMP3ALDH1A1
SCHEMBL5526919 0.90 HRH3 (0.66) HRH3HDAC1HDAC2MMP3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9585891-B2 Alpha hydroxy amides MERCK PATENT GMBH (DE) 2017-03-07 US disclosed
US-20150250792-A1 ALPHA HYDROXY AMIDES MERCK PATENT GMBH (DE) 2015-09-10 US disclosed
EP-1481966-B1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2011-07-20 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-20150250792-A1 ALPHA HYDROXY AMIDES HCAR1, NAA40, HCAR2 HRH3 32/4885HDAC1 252/4885HDAC2 235/4885

“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.