SCHEMBL123496

SCHEMBL123496

O=S(=O)(NCCNCC=Cc1ccc(Br)cc1)c1cccc2cnccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 6/20 1.00
PRKCG P05129 5/20 1.00
PRKCZ Q05513 5/20 1.00
PRKCD Q05655 5/20 1.00
ROCK2 O75116 4/20 1.00
PRKACG P22612 4/20 1.00
PRKACB P22694 4/20 1.00
PRKD3 O94806 4/20 1.00
PRKCB P05771 4/20 1.00
PRKCA P17252 4/20 1.00
PRKCH P24723 4/20 1.00
PRKCI P41743 4/20 1.00
PRKCE Q02156 4/20 1.00
PRKCQ Q04759 4/20 1.00
PRKD1 Q15139 4/20 1.00
MAPK1 P28482 3/20 1.00
AKT2 P31751 3/20 1.00
AKT3 Q9Y243 3/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
CYP3A4 P08684 3/20 1.00

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
SCHEMBL123495 1.00 PRKACA (1.00) PRKACAPRKCGPRKCZPRKCDROCK2
SCHEMBL29967929 1.00 PRKACA (1.00) PRKACAPRKCGPRKCZPRKCDROCK2
Hydrochloric Acid SCHEMBL29967768 0.99 PRKACA (1.00) PRKACAPRKCGPRKCZPRKCDROCK2
Bromide SCHEMBL3347119 0.99 PRKACA (0.98) PRKACAPRKCGPRKCZPRKCDROCK2
Bromide SCHEMBL3347113 0.99 PRKACA (0.98) PRKACAPRKCGPRKCZPRKCDROCK2
Hydrochloric Acid SCHEMBL29664044 0.99 PRKACA (1.00) PRKACAPRKCGPRKCZPRKCDROCK2
Hydrochloric Acid SCHEMBL1048972 0.99 PRKACA (1.00) PRKACAPRKCGPRKCZPRKCDROCK2
Hydrochloric Acid SCHEMBL905696 0.99 PRKACA (1.00) PRKACAPRKCGPRKCZPRKCDROCK2
Hydrochloric Acid SCHEMBL1048974 0.99 PRKACA (1.00) PRKACAPRKCGPRKCZPRKCDROCK2
SCHEMBL9636264 0.91 PRKACA (0.83) PRKACAPRKCGPRKCZPRKCDROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9976172-B2 Method and apparatus for measuring protein post-translational modification ICAGEN, INC. (US) 2018-05-22 US claimed
US-20160201111-A1 Method and Apparatus for Measuring Protein Post-Translational Modification UNITED STATES GOVERNMENT 2016-07-14 US claimed
US-20100144616-A1 Neuroprotective methods and reagents CURIS, INC. (US) 2010-06-10 US claimed
EP-1646395-A4 METHODS AND COMPOSITIONS FOR REGULATING LYMPHOCYTE ACTIVITY CURIS INC (US) 2007-03-07 EP claimed
US-20070048286-A1 Method of treating dopaminergic and GABA-nergic disorders CURIS, INC. 2007-03-01 US claimed
US-20060099568-A1 Signals and molecular species involved in senescence SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2006-05-11 US claimed
EP-1646395-A2 METHODS AND COMPOSITIONS FOR REGULATING LYMPHOCYTE ACTIVITY Curis, Inc. (US) 2006-04-19 EP claimed
WO-2006020755-A2 METHODS FOR IDENTIFYING INHIBITORS OF THE MTOR PATHWAY AS DIABETES THERAPEUTICS BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2006-02-23 WO claimed
EP-1067917-B1 METHOD OF TREATING DOPAMINERGIC AND GABA-NERGIC DISORDERS CURIS INC (US) 2005-12-07 EP claimed
US-20050256074-A1 Methods and compositions for regulating lymphocyte activity CURIS, INC. (US) 2005-11-17 US claimed
WO-2001040438-A2 METHODS AND COMPOSITIONS FOR REGULATING LYMPHOCYTE ACTIVITY CURIS, INC. (US) 2001-06-07 WO claimed
EP-1067917-A2 METHOD OF TREATING DOPAMINERGIC AND GABA-NERGIC DISORDERS Curis, Inc. (US) 2001-01-17 EP claimed
EP-1028741-A1 REGULATION OF EPITHELIAL TISSUE BY HEDGEHOG-LIKE POLYPEPTIDES, AND FORMULATIONS AND USES RELATED THERETO Ontogeny, Inc. (US) 2000-08-23 EP claimed
EP-1009424-A2 REGULATION OF MUSCLE TISSUES BY HEDGEHOG-LIKE POLYPEPTIDES, AND FORMULATIONS AND USES RELATED THERETO Ontogeny, Inc. (US) 2000-06-21 EP claimed
WO-2000027422-A2 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PERIPHERAL NEUROPATHIES BIOGEN, INC. (US) 2000-05-18 WO claimed
WO-1999020298-A1 REGULATION OF EPITHELIAL TISSUE BY HEDGEHOG-LIKE POLYPEPTIDES, AND FORMULATIONS AND USES RELATED THERETO ONTOGENY, INC. (US) 1999-04-29 WO claimed
WO-1999004775-A9 METHOD OF TREATING DOPAMINERGIC AND GABA-NERGIC DISORDERS ONTOGENY INC (US) 1999-04-29 WO claimed
WO-1999010004-A2 REGULATION OF MUSCLE TISSUES BY HEDGEHOG-LIKE POLYPEPTIDES, AND FORMULATIONS AND USES RELATED THERETO ONTOGENY, INC. (US) 1999-03-04 WO claimed
WO-1999004775-A2 METHOD OF TREATING DOPAMINERGIC AND GABA-NERGIC DISORDERS ONTOGENY, INC. (US) 1999-02-04 WO claimed
WO-1999000117-A2 NEUROPROTECTIVE METHODS AND REAGENTS ONTOGENY, INC. (US) 1999-01-07 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20070048286-A1 Method of treating dopaminergic and GABA-nergic disorders DBH, GABRB3, GABRB2 PRKACA 2805/4885PRKCG 2943/4885PRKCZ 2882/4885
US-20100144616-A1 Neuroprotective methods and reagents SHH, GLI1, DCX PRKACA 2527/4885PRKCG 1180/4885PRKCZ 1593/4885
US-20050256074-A1 Methods and compositions for regulating lymphocyte activity SHH, ICOS, HCLS1 PRKACA 653/4885PRKCG 218/4885PRKCZ 861/4885

“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.