Sugi Predict

Sugi Predict / Compounds / SCHEMBL1436032

SCHEMBL1436032

SCHEMBL1436032

Cc1ccc(C(N)=S)cn1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ ADRA2A P08913 2/20 0.47
▸ ADRA2B P18089 2/20 0.47
▸ ADRA2C P18825 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ BAZ2B Q9UIF8 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ NNMT P40261 2/20 0.36

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
SCHEMBL8000244 0.80 HDAC1 (0.52) HDAC1HDAC6ADRA2AADRA2BADRA2C
SCHEMBL7948362 0.80 HDAC1 (0.52) HDAC1HDAC6ADRA2AADRA2BADRA2C
SCHEMBL17033581 0.78 HDAC1 (0.50) HDAC1HDAC6ADRA2AADRA2BADRA2C
SCHEMBL351856 0.78 NNMT (0.61) HDAC1HDAC6ADRA2AADRA2BADRA2C
SCHEMBL8324617 0.78 UBE2T (0.54) HDAC1HDAC6ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL5916417 0.77 UBE2T (0.53) HDAC1HDAC6ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL8327897 0.77 UBE2T (0.53) HDAC1HDAC6ADRA2AADRA2BADRA2C
SCHEMBL10725597 0.76 SMN1; SMN2 (0.63) HDAC1HDAC6SMN1; SMN2HTTKDM4E
Hydrochloric Acid SCHEMBL25307873 0.75 UBE2T (0.51) HDAC1HDAC6ADRA2AADRA2BADRA2C
SCHEMBL641281 0.75 ADRA2A (0.48) HDAC1HDAC6ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679404-B Piperidine-amide derivatives HOFFMANN LA ROCHE 2012-06-13 — — CN disclosed
EP-2433938-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS Kyowa Hakko Kirin Co., Ltd. (JP) 2012-03-28 — — EP disclosed
US-8039487-B2 Piperidine-amide derivatives HOFFMANN-LA ROCHE INC. (US) 2011-10-18 — — US disclosed
EP-2155738-B1 PIPERIDINE-AMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-03 — — EP disclosed
EP-1441719-B1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 — — EP disclosed
US-7803819-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-09-28 — — US disclosed
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ALANINE ALEXANDER 2010-03-25 — — US disclosed
CN-101679404-A piperidine-amide derivatives HOFFMANN LA ROCHE 2010-03-24 — — CN disclosed
EP-2155738-A1 PIPERIDINE-AMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-02-24 — — EP disclosed
WO-2008145596-A1 PIPERIDINE-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-12-04 — — WO disclosed
WO-2004060888-A1 NOVEL CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 — — WO disclosed
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER (FR) 2003-09-18 — — US disclosed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 — — US disclosed
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER (FR) 2003-07-03 — — US disclosed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 — — WO disclosed
EP-1303272-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 — — EP disclosed
US-6521754-B2 Such as N-4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-2-methyl-isoni cotinamide HOFFMAN-LA ROCHE INC. 2003-02-18 — — US disclosed
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 — — US disclosed
WO-2001097786-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-12-27 — — WO disclosed
US-4954627-A Process for desulfurization of isothioureas and isothioamides MOBAY CORPORATION (US) 1990-09-04 — — 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-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 HDAC1 2504/4885HDAC6 2629/4885ADRA2A 52/4885
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 HDAC1 2504/4885HDAC6 2629/4885ADRA2A 52/4885
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 HDAC1 2513/4885HDAC6 2529/4885ADRA2A 62/4885
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 HDAC1 2504/4885HDAC6 2629/4885ADRA2A 52/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 HDAC1 460/4885HDAC6 1930/4885ADRA2A 1214/4885

“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.