SCHEMBL4303253

SCHEMBL4303253

CCN(CC)c1ccc(C(N)=S)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 7/20 0.54
MAPK1 P28482 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
GFER P55789 2/20 0.54
PSMD14 O00487 1/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
RECQL P46063 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53

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
SCHEMBL611209 0.83 ALDH1A1 (0.52) ALDH1A1MAPK1L3MBTL1TDP1GFER
SCHEMBL4296107 0.82 ADRA2A (0.55) SMN1; SMN2ALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL610064 0.81 MAPT (0.51) SMN1; SMN2ALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL18923422 0.79 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1TDP1GFER
SCHEMBL21974566 0.79 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1TDP1GFER
SCHEMBL1477967 0.79 MAPT (0.54) ALDH1A1MAPK1L3MBTL1TDP1GFER
SCHEMBL9915626 0.78 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1GFER
Hydrochloric Acid SCHEMBL3855035 0.78 MAPT (0.53) ALDH1A1MAPK1L3MBTL1TDP1GFER
SCHEMBL1735497 0.76 ALDH1A1 (0.74) ALDH1A1MAPK1L3MBTL1TDP1GFER
SCHEMBL610430 0.76 TDP1 (0.53) ALDH1A1MAPK1L3MBTL1TDP1GFER

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
EP-2875001-B1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO LTD (CN) 2019-01-09 EP disclosed
US-9434695-B2 Nitrogenous heterocyclic derivatives and their application in drugs SUNSHINE LAKE PHARMA CO., LTD (CN) 2016-09-06 US disclosed
EP-2875001-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS Sunshine Lake Pharma Co., Ltd. (CN) 2015-05-27 EP disclosed
US-20150087639-A1 Nitrogenous Heterocyclic Derivatives And Their Application In Drugs SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-03-26 US disclosed
WO-2014012360-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-01-23 WO disclosed
US-20090270363-A1 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof WYETH (US) 2009-10-29 US disclosed
US-20090270363-A1 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof WYETH (US) 2009-10-29 US disclosed
US-20090270363-A1 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof WYETH (US) 2009-10-29 US disclosed
WO-2009120826-A1 2-ARYL- AND 2-HETEROARYLTHIAZOLYL COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF WYETH (US) 2009-10-01 WO 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-20150087639-A1 Nitrogenous Heterocyclic Derivatives And Their Application In Drugs TNNC1, TNNI3, IAPP SMN1; SMN2 18/4885ALDH1A1 1530/4885MAPK1 1833/4885
US-20090270363-A1 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof SEC63, SEC62, SEC22B SMN1; SMN2 2004/4885ALDH1A1 2705/4885MAPK1 3367/4885

“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.