SCHEMBL1968083

SCHEMBL1968083

NC(=O)c1nc2c(s1)CCCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.51
ADRA2B P18089 4/20 0.51
ADRA2C P18825 4/20 0.51
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
TSHR P16473 2/20 0.46
PDK1 Q15118 3/20 0.46
FBP1 P09467 2/20 0.46
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
GAA P10253 3/20 0.44
KMT2A Q03164 3/20 0.44
MITF O75030 1/20 0.44
MAPT P10636 7/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
USP2 O75604 1/20 0.41
MEN1 O00255 2/20 0.40

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
Trifluoroacetic Acid SCHEMBL6999291 0.89 ADRA2A (0.43) ADRA2AADRA2BADRA2CAPOBEC3AAPOBEC3G
SCHEMBL15653322 0.82 RAB9A (0.49) ADRA2AADRA2BADRA2CAPOBEC3AAPOBEC3G
SCHEMBL15896599 0.81 TSHR (0.50) ADRA2AADRA2BADRA2CAPOBEC3AAPOBEC3G
SCHEMBL2551425 0.80 TSHR (0.46) ADRA2AADRA2BADRA2CAPOBEC3AAPOBEC3G
SCHEMBL8003326 0.78 PDK1 (0.47) ADRA2AADRA2BADRA2CAPOBEC3AAPOBEC3G
SCHEMBL28878064 0.77 ADRA2A (0.44) ADRA2AADRA2BADRA2CAPOBEC3AAPOBEC3G
SCHEMBL29649442 0.77 TSHR (0.50) APOBEC3AAPOBEC3GTSHRPDK1FBP1
SCHEMBL15893975 0.77 TSHR (0.46) ADRA2AADRA2BADRA2CAPOBEC3AAPOBEC3G
SCHEMBL30527928 0.75 PNMT (0.46)
SCHEMBL3648757 0.75 HDAC2 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US claimed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US claimed
EP-2334652-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP claimed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US claimed
WO-2010034796-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO claimed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 US claimed
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 WO claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed
WO-2000027394-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2000-05-18 WO claimed
EP-3394068-B1 TDO2 INHIBITORS GENENTECH INC (US) 2024-09-11 EP disclosed
US-20220306635-A1 TDO2 Inhibitors GENENTECH, INC. 2022-09-29 US disclosed
CN-109096274-B Biaryl compounds useful in the treatment of human oncological, neurological and immunological diseases 比奥根MA公司 2022-07-01 CN disclosed
CN-110072864-B TDO2 inhibitors 基因泰克公司 2022-05-27 CN disclosed
US-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US disclosed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 US disclosed
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 WO disclosed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US disclosed
WO-2000027394-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2000-05-18 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 (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-20100009964-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ADRA2A 51/4885ADRA2B 55/4885ADRA2C 48/4885
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 ADRA2A 2093/4885ADRA2B 2680/4885ADRA2C 2677/4885
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 ADRA2A 2035/4885ADRA2B 3075/4885ADRA2C 2696/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 ADRA2A 2035/4885ADRA2B 3075/4885ADRA2C 2696/4885
US-20220306635-A1 TDO2 Inhibitors TDO2, IDO2, IDO1 ADRA2A 854/4885ADRA2B 627/4885ADRA2C 1005/4885

“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.