SCHEMBL1929636

SCHEMBL1929636

NCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 1.00
CYP1A2 P05177 9/20 1.00
CYP2C19 P33261 9/20 1.00
CYP2C9 P11712 8/20 1.00
TP53 P04637 7/20 1.00
CYP2D6 P10635 6/20 1.00
MAPK1 P28482 4/20 1.00
THPO P40225 3/20 1.00
NFKB1 P19838 2/20 1.00
MEN1 O00255 5/20 0.97
KMT2A Q03164 5/20 0.97
ALDH1A1 P00352 4/20 0.97
PMP22 Q01453 3/20 0.97
NPSR1 Q6W5P4 3/20 0.97
TSHR P16473 3/20 0.97
TDP1 Q9NUW8 3/20 0.97
GMNN O75496 2/20 0.97
LMNA P02545 2/20 0.97
FPR2 P25090 2/20 0.97
MAPT P10636 1/20 0.97

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
SCHEMBL29695235 0.99 CYP3A4 (1.00) CYP3A4CYP1A2CYP2C19CYP2C9TP53
SCHEMBL166960 0.99 CYP3A4 (1.00) CYP3A4CYP1A2CYP2C19CYP2C9TP53
Hydrochloric Acid SCHEMBL9895589 0.99 MEN1 (1.00) CYP3A4CYP1A2CYP2C19CYP2C9TP53
SCHEMBL12648358 0.99 CYP3A4 (1.00) CYP3A4CYP1A2CYP2C19CYP2C9TP53
SCHEMBL9927435 0.99 CYP3A4 (1.00) CYP3A4CYP1A2CYP2C19CYP2C9TP53
Hydrochloric Acid SCHEMBL897995 0.97 CYP3A4 (1.00) CYP3A4CYP1A2CYP2C19CYP2C9TP53
Hydrochloric Acid SCHEMBL30603259 0.97 CYP3A4 (1.00) CYP3A4CYP1A2CYP2C19CYP2C9TP53
Hydrochloric Acid SCHEMBL30165585 0.97 CYP3A4 (1.00) CYP3A4CYP1A2CYP2C19CYP2C9TP53
Hydrochloric Acid SCHEMBL29734979 0.97 CYP3A4 (1.00) CYP3A4CYP1A2CYP2C19CYP2C9TP53
Hydrochloric Acid SCHEMBL9895302 0.97 CYP3A4 (1.00) CYP3A4CYP1A2CYP2C19CYP2C9TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160067261-A1 SERCA INHIBITOR AND CALMODULIN ANTAGONIST COMBINATION UNIVERSITAET DES SAARLANDES (DE) 2016-03-10 US disclosed
US-20160067261-A1 SERCA INHIBITOR AND CALMODULIN ANTAGONIST COMBINATION UNIVERSITAET DES SAARLANDES (DE) 2016-03-10 US disclosed
US-9034798-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2015-05-19 US disclosed
US-8569481-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-8506945-B2 Polymers with structure-defined functions SMITH & NEPHEW, PLC. (GB) 2013-08-13 US disclosed
US-20120148604-A1 TRP INHIBITORS AND USES THEREOF TRANSPOSAGEN BIOPHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120148604-A1 TRP INHIBITORS AND USES THEREOF TRANSPOSAGEN BIOPHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-8188070-B2 Method of treating neurological diseases and disorders THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-05-29 US disclosed
US-8188070-B2 Method of treating neurological diseases and disorders THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-05-29 US disclosed
US-20110300096-A1 Polymers With Structure-Defined Functions GREENER BRYAN (GB) 2011-12-08 US disclosed
US-7691847-B2 Method of treating neurological diseases and disorders THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-04-06 US disclosed
US-20060135509-A1 Method of treating neurological diseases and disorders THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2006-06-22 US disclosed
US-20050032929-A1 Polymers with structure-defined functions SMITH & NEPHEW, PLC (GB) 2005-02-10 US disclosed
EP-1436334-A1 POLYMERS WITH STRUCTURE-DEFINED FUNCTIONS Smith & Nephew PLC (GB) 2004-07-14 EP disclosed
WO-2004036181-A2 METHOD OF TREATING NEUROLOGICAL DISEASES AND DISORDERS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2004-04-29 WO disclosed
WO-2003027154-A1 POLYMERS WITH STRUCTURE-DEFINED FUNCTIONS SMITH & NEPHEW PLC (GB) 2003-04-03 WO disclosed
US-6149945-A Human fibroblast diffusable factors ALBERTA CANCER BOARD (CA) 2000-11-21 US disclosed
US-6117822-A AS HERBICIDES AND PLANT DESICCANTS AND/OR DEFOLIANTS BASF AKTIENGESELLSCHAFT (DE) 2000-09-12 US disclosed
EP-0980256-A2 THE USE OF BIOLOGICALLY ACTIVE SUBSTANCES FOR INFLUENCING THE EXTRACELLULAR AREA OF SENSORY CELLS AND METHOD FOR CONTROLLING THE ADMINISTRATION OF ACTIVE SUBSTANCES AND DEVICE USED THEREIN Eckmiller, Marion Sangster (DE) 2000-02-23 EP disclosed
WO-1998050065-A2 THE USE OF BIOLOGICALLY ACTIVE SUBSTANCES FOR INFLUENCING THE EXTRACELLULAR AREA OF SENSORY CELLS AND METHOD FOR CONTROLLING THE ADMINISTRATION OF ACTIVE SUBSTANCES AND DEVICE USED THEREIN ECKMILLER MARION SANGSTER (DE) 1998-11-12 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 (4 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-20160067261-A1 SERCA INHIBITOR AND CALMODULIN ANTAGONIST COMBINATION ATP2A2, ATP2A1, ATP2A3 CYP3A4 4171/4885CYP1A2 2440/4885CYP2C19 3874/4885
US-20120148604-A1 TRP INHIBITORS AND USES THEREOF TRPC4, TRPC1, TRPC3 CYP3A4 4842/4885CYP1A2 4862/4885CYP2C19 4861/4885
US-20110300096-A1 Polymers With Structure-Defined Functions MMP1, MMP8, ADAM12 CYP3A4 694/4885CYP1A2 541/4885CYP2C19 353/4885
US-20060135509-A1 Method of treating neurological diseases and disorders SMN1; SMN2, CLN6, PMP22 CYP3A4 4805/4885CYP1A2 4361/4885CYP2C19 4874/4885

“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.