SCHEMBL928866

SCHEMBL928866

O=S(=O)(O)CCCn1c2c(c3ccccc31)CCNC2

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL9615110 0.80 NPC1 (0.54) HTR6HDAC1HDAC6HTR2AHTR2C
SCHEMBL12951709 0.80 HDAC6 (0.55) HTR6HDAC1HDAC6HTR2AHTR2C
SCHEMBL46293 0.79 HDAC1 (0.52) HTR6HDAC1HDAC6HTR2AHTR2C
Hydrochloric Acid SCHEMBL9615105 0.79 KDM4E (0.53) HTR6HDAC1HDAC6HTR2AHTR2C
SCHEMBL4300297 0.78 HDAC1 (0.53) HTR6HDAC1HDAC6HTR2AHTR2C
Hydrochloric Acid SCHEMBL14892472 0.78 HDAC1 (0.51) HTR6HDAC1HDAC6HTR2AHTR2C
SCHEMBL17224372 0.76 FABP4 (0.57) HDAC1HDAC6KDM4E
SCHEMBL12369407 0.76 HDAC1 (0.48) HTR6HDAC1HDAC6HTR2AHTR2C
SCHEMBL9615137 0.75 HTR2A (0.55) HTR6HDAC1HDAC6HTR2AHTR2C
SCHEMBL12369406 0.75 HDAC1 (0.53) HTR6HDAC1HDAC6HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050048000-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-03-03 US claimed
EP-1303311-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF Neurochem, Inc. (CA) 2003-04-23 EP claimed
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (GI) 2002-08-22 US claimed
WO-2002007781-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF NEUROCHEM INC. (CA) 2002-01-31 WO claimed
EP-1646659-B1 METHOD FOR THE PREPARATION OF 1,3-PROPANE DISULFONIC ACID COMPOUNDS KIACTA S RL (CH) 2014-05-14 EP disclosed
US-20110021813-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF KONG XIANQI 2011-01-27 US disclosed
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-01-31 US disclosed
US-7311893-B2 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-12-25 US disclosed
US-7253306-B2 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-07 US disclosed
US-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-06-30 US disclosed
US-20050048000-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-03-03 US disclosed
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (GI) 2002-08-22 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 (5 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-20110021813-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF MPST, TTR, STS HTR6 2041/4885HDAC1 4732/4885HDAC6 3006/4885
US-20050048000-A1 Amyloid targeting imaging agents and uses thereof APP, APBA1, BACE1 HTR6 4275/4885HDAC1 4744/4885HDAC6 3892/4885
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof APP, APBA1, BACE1 HTR6 4275/4885HDAC1 4744/4885HDAC6 3892/4885
US-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof MPST, TTR, STS HTR6 2041/4885HDAC1 4732/4885HDAC6 3006/4885
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF MPST, TTR, STS HTR6 2041/4885HDAC1 4732/4885HDAC6 3006/4885

“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.