SCHEMBL1489356

SCHEMBL1489356

CSc1nc(C(=O)O)c(N)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
MAPT P10636 5/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
KEAP1 Q14145 1/20 0.35
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HCRTR1 O43613 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
PKM P14618 2/20 0.32
LIG1 P18858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL18337153 0.85 LMNA (0.41) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL18336256 0.80 MAPT (0.39) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL14820306 0.78 LMNA (0.39) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL14820294 0.77 ALDH1A1 (0.44) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9115978 0.76 LMNA (0.64) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL18336366 0.76 LMNA (0.42) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL18336428 0.76 MAPT (0.39) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL18335870 0.75 RAB9A (0.50) MAPTNPC1RAB9ASMN1; SMN2USP2
SCHEMBL14820138 0.74 COPS5 (0.37) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL18335780 0.74 S100A4 (0.45) LMNAMAPTNPC1RAB9ASMN1; SMN2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3683222-B1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2021-10-06 EP disclosed
EP-3683222-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2020-07-22 EP disclosed
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-09-04 US disclosed
EP-3135674-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2017-03-01 EP disclosed
US-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-12-29 US disclosed
US-9248131-B2 Aquaporin modulators and methods of using them for the treatment of edema and fluid imbalance ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2016-02-02 US disclosed
US-20150224108-A1 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE UNIV ARIZONA STATE (US) 2015-08-13 US disclosed
US-8835491-B2 Aquaporin modulators and methods of using them for the treatment of edema and fluid imbalance ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2014-09-16 US disclosed
US-8835491-B2 Aquaporin modulators and methods of using them for the treatment of edema and fluid imbalance ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2014-09-16 US disclosed
US-8835491-B2 Aquaporin modulators and methods of using them for the treatment of edema and fluid imbalance ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2014-09-16 US disclosed
EP-2086329-B1 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE UNIV ARIZONA STATE (US) 2014-07-23 EP disclosed
US-20110172195-A1 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE ARIZONA BOARD OF REG. ON BEHALF OF THE UNIV. OF AZ (US) 2011-07-14 US disclosed
US-7906555-B2 Aquaporin modulators and methods of using them for the treatment of edema and fluid imbalance ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2011-03-15 US disclosed
EP-2086329-A2 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE Flynn, Gary A. (US) 2009-08-12 EP disclosed
US-20080221169-A1 3-carboxy aryl sulfonamide compounds, which agonize or antagonize aquaporin channels; brain trauma, head trauma, eye disorder, pulmonary disorder, lung disease, vascular disease, kidney disease, heavy metal toxicity, Alzheimer's disease, tumor, and cancer ARIZONA BOARD OF REG. ON BEHALF OF THE UNIV. OF AZ (US) 2008-09-11 US disclosed
WO-2008052190-A2 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE FLYNN GARY A (US) 2008-05-02 WO disclosed
WO-2007048064-A2 AMINO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2007-04-26 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-20080221169-A1 3-carboxy aryl sulfonamide compounds, which agonize or antagonize aquaporin channels; brain trauma, head trauma, eye disorder, pulmonary disorder, lung disease, vascular disease, kidney disease, heavy metal toxicity, Alzheimer's disease, tumor, and cancer AQP4, AQP3, AQP1 LMNA 4098/4885MAPT 1271/4885NPC1 1021/4885
US-20150224108-A1 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE AQP1, AQP4, AQP3 LMNA 2946/4885MAPT 3998/4885NPC1 411/4885
US-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND CBR3, CBR1, CYCS LMNA 4127/4885MAPT 4400/4885NPC1 2170/4885
US-20110172195-A1 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE AQP1, AQP4, AQP3 LMNA 2946/4885MAPT 3998/4885NPC1 411/4885
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound CBR3, CBR1, CYCS LMNA 3999/4885MAPT 4334/4885NPC1 2168/4885

“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.